N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide

C24H36ClN3O2 — CID 140543799

IUPACN-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide
SMILESCC(C)(C)NC(=O)CN1CCC(Cc2cc(Cl)ccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C24H36ClN3O2/c1-24(2,3)27-22(29)16-28-12-10-17(11-13-28)14-19-15-20(25)8-9-21(19)26-23(30)18-6-4-5-7-18/h8-9,15,17-18H,4-7,10-14,16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyINVUAJRXFATQDV-UHFFFAOYSA-N
MW434.02 g/mol
LogP4.64
Rot. Bonds6

About N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide

N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide (PubChem CID 140543799) has the molecular formula C24H36ClN3O2 and a molecular weight of 434.02 g/mol. Its IUPAC name is N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide
PubChem CID140543799
Molecular FormulaC24H36ClN3O2
Molecular Weight434.02 g/mol
Exact Mass433.25
IUPAC NameN-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide
SMILESCC(C)(C)NC(=O)CN1CCC(Cc2cc(Cl)ccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C24H36ClN3O2/c1-24(2,3)27-22(29)16-28-12-10-17(11-13-28)14-19-15-20(25)8-9-21(19)26-23(30)18-6-4-5-7-18/h8-9,15,17-18H,4-7,10-14,16H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyINVUAJRXFATQDV-UHFFFAOYSA-N
XLogP4.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.02
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 170153363
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9131120
(2R)-2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 9131167
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride
CID 154749832
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
N-(5-chloro-2-hydroxyphenyl)-1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxamide
CID 111113313
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide (CID 140543799) is N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide is CC(C)(C)NC(=O)CN1CCC(Cc2cc(Cl)ccc2NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide?
The InChIKey is INVUAJRXFATQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36ClN3O2/c1-24(2,3)27-22(29)16-28-12-10-17(11-13-28)14-19-15-20(25)8-9-21(19)26-23(30)18-6-4-5-7-18/h8-9,15,17-18H,4-7,10-14,16H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide?
N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide has a molecular weight of 434.02 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide is sourced from PubChem (CID 140543799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).