N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide

C24H36N2O2 — CID 92557507

IUPACN-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)C4CCOCC4)CC3)CCCC2)cc1
InChIInChI=1S/C24H36N2O2/c1-19-4-6-21(7-5-19)24(12-2-3-13-24)18-26-14-8-22(9-15-26)25-23(27)20-10-16-28-17-11-20/h4-7,20,22H,2-3,8-18H2,1H3,(H,25,27)
InChIKeyUZHMLAFDBYBGTO-UHFFFAOYSA-N
MW384.56 g/mol
LogP3.81
Rot. Bonds5

About N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide

N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide (PubChem CID 92557507) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide
PubChem CID92557507
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide
SMILESCc1ccc(C2(CN3CCC(NC(=O)C4CCOCC4)CC3)CCCC2)cc1
InChIInChI=1S/C24H36N2O2/c1-19-4-6-21(7-5-19)24(12-2-3-13-24)18-26-14-8-22(9-15-26)25-23(27)20-10-16-28-17-11-20/h4-7,20,22H,2-3,8-18H2,1H3,(H,25,27)
InChIKeyUZHMLAFDBYBGTO-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]propanamide
CID 92557513
3-methoxy-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
CID 110245179
1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-amine
CID 175660899
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
CID 95853180
N-[1-[(1-phenylcyclopentyl)methyl]piperidin-4-yl]pyrazolidine-3-carboxamide
CID 75261396
N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47395832
1-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxylic acid
CID 110129643
2-(2-hydroxyphenyl)-N-[1-[[1-(4-methoxyphenyl)cyclohexyl]methyl]piperidin-4-yl]acetamide
CID 92595353
N-[1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
CID 92585557
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
(3S)-N-[1-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidin-4-yl]-1,1-dioxothiolane-3-sulfonamide
CID 92557494
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide (CID 92557507) is N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide is Cc1ccc(C2(CN3CCC(NC(=O)C4CCOCC4)CC3)CCCC2)cc1.
What is the InChIKey of N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide?
The InChIKey is UZHMLAFDBYBGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-19-4-6-21(7-5-19)24(12-2-3-13-24)18-26-14-8-22(9-15-26)25-23(27)20-10-16-28-17-11-20/h4-7,20,22H,2-3,8-18H2,1H3,(H,25,27).
What are the key properties of N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide?
N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide has a molecular weight of 384.56 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 92557507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).