N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide

C27H32N4O2S — CID 139462043

IUPACN-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CC1(N2CCN(Cc3ccccc3)CC2)CCOCC1)c1ccccn1
InChIInChI=1S/C27H32N4O2S/c32-26(24-9-6-20-34-24)31(25-10-4-5-13-28-25)22-27(11-18-33-19-12-27)30-16-14-29(15-17-30)21-23-7-2-1-3-8-23/h1-10,13,20H,11-12,14-19,21-22H2
InChIKeyURZQHMJSLRHILB-UHFFFAOYSA-N
MW476.65 g/mol
LogP4.16
Rot. Bonds7

About N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide

N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 139462043) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide
PubChem CID139462043
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC NameN-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CC1(N2CCN(Cc3ccccc3)CC2)CCOCC1)c1ccccn1
InChIInChI=1S/C27H32N4O2S/c32-26(24-9-6-20-34-24)31(25-10-4-5-13-28-25)22-27(11-18-33-19-12-27)30-16-14-29(15-17-30)21-23-7-2-1-3-8-23/h1-10,13,20H,11-12,14-19,21-22H2
InChIKeyURZQHMJSLRHILB-UHFFFAOYSA-N
XLogP4.16
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[[4-(4-benzylpiperazin-1-yl)oxepan-4-yl]methyl]-N-pyridin-2-ylpropanamide
CID 139471542
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-2-methoxy-N-phenylacetamide
CID 137371296
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(5-fluoro-3-pyridinyl)propanamide
CID 126508959
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-[3-(trifluoromethyl)-2-pyridinyl]propanamide
CID 126508904
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 137371452
N-[[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]oxan-4-yl]methyl]-N-phenylpropanamide
CID 126539476
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-phenylpropanamide
CID 126539472
1-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-3-ethyl-1-phenylurea
CID 126507084
N-(6-methyl-2-pyridinyl)-N-[[4-[4-(2-phenylethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 157152523
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-3-chloro-2-methylpropanamide
CID 139462052
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
N-[[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]oxan-4-yl]methyl]propanamide
CID 126507028

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide (CID 139462043) is N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide is O=C(c1cccs1)N(CC1(N2CCN(Cc3ccccc3)CC2)CCOCC1)c1ccccn1.
What is the InChIKey of N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is URZQHMJSLRHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2S/c32-26(24-9-6-20-34-24)31(25-10-4-5-13-28-25)22-27(11-18-33-19-12-27)30-16-14-29(15-17-30)21-23-7-2-1-3-8-23/h1-10,13,20H,11-12,14-19,21-22H2.
What are the key properties of N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide?
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 476.65 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-N-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 139462043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).