N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide

C32H38N4O2S — CID 67303760

IUPACN-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C32H38N4O2S/c1-32(2,3)23-11-9-22(10-12-23)30(37)35-19-25-26(20-35)27(25)21-36(31(38)28-8-7-17-39-28)24-13-14-29(33-18-24)34-15-5-4-6-16-34/h7-14,17-18,25-27H,4-6,15-16,19-21H2,1-3H3
InChIKeyBVAMGNKKKRVXQS-UHFFFAOYSA-N
MW542.75 g/mol
LogP6.10
Rot. Bonds6

About N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide

N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 67303760) has the molecular formula C32H38N4O2S and a molecular weight of 542.75 g/mol. Its IUPAC name is N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID67303760
Molecular FormulaC32H38N4O2S
Molecular Weight542.75 g/mol
Exact Mass542.27
IUPAC NameN-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C32H38N4O2S/c1-32(2,3)23-11-9-22(10-12-23)30(37)35-19-25-26(20-35)27(25)21-36(31(38)28-8-7-17-39-28)24-13-14-29(33-18-24)34-15-5-4-6-16-34/h7-14,17-18,25-27H,4-6,15-16,19-21H2,1-3H3
InChIKeyBVAMGNKKKRVXQS-UHFFFAOYSA-N
XLogP6.10
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.75
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide with MolForge

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Related Compounds

N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 11454714
N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thiophene-2-carboxamide
CID 67302413
thiophen-2-yl N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]carbamate
CID 129158920
N-[[3-(4-tert-butylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-2-carboxamide
CID 67303277
N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 90888101
[3-(4-tert-butylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl-(6-morpholin-4-yl-3-pyridinyl)carbamic acid;cyclopentane
CID 129158909
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971611
[1-(thiophene-2-carbonyl)piperidin-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809876
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 173131493
N-(oxolan-2-ylmethyl)-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739534
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide (CID 67303760) is N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide is CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCCCC3)nc2)cc1.
What is the InChIKey of N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is BVAMGNKKKRVXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O2S/c1-32(2,3)23-11-9-22(10-12-23)30(37)35-19-25-26(20-35)27(25)21-36(31(38)28-8-7-17-39-28)24-13-14-29(33-18-24)34-15-5-4-6-16-34/h7-14,17-18,25-27H,4-6,15-16,19-21H2,1-3H3.
What are the key properties of N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide?
N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 542.75 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-tert-butylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-(6-piperidin-1-yl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 67303760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).