N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide

C20H26N2O2 — CID 96531775

IUPACN-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c1-2-13-22-14-11-16(12-15-22)20(23)21-18-9-6-10-19(18)24-17-7-4-3-5-8-17/h1,3-5,7-8,16,18-19H,6,9-15H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyYWSROZCESXQPFZ-OALUTQOASA-N
MW326.44 g/mol
LogP2.45
Rot. Bonds5

About N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide

N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 96531775) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID96531775
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)CC1
InChIInChI=1S/C20H26N2O2/c1-2-13-22-14-11-16(12-15-22)20(23)21-18-9-6-10-19(18)24-17-7-4-3-5-8-17/h1,3-5,7-8,16,18-19H,6,9-15H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyYWSROZCESXQPFZ-OALUTQOASA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide
CID 97082762
N-[4-oxo-4-[(2-phenoxycyclopentyl)amino]butyl]cyclopropanecarboxamide
CID 71931515
N-[4-oxo-4-[[(1S,2S)-2-phenoxycyclohexyl]amino]butyl]cyclopropanecarboxamide
CID 95625915
N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 51092869
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2S)-2-phenoxycyclopentyl]urea
CID 97220209
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
CID 96531761
N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide
CID 95624806
N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 47069247
N-(2-hydroxy-3-phenylpropyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 111102602
N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine
CID 55013087
1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide
CID 99774065
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]oxane-4-carboxamide
CID 110157858

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide (CID 96531775) is N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)CC1.
What is the InChIKey of N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is YWSROZCESXQPFZ-OALUTQOASA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-13-22-14-11-16(12-15-22)20(23)21-18-9-6-10-19(18)24-17-7-4-3-5-8-17/h1,3-5,7-8,16,18-19H,6,9-15H2,(H,21,23)/t18-,19-/m0/s1.
What are the key properties of N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide?
N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-phenoxycyclopentyl]-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 96531775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).