N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide

C20H27N3O — CID 56814231

IUPACN-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCC#Cc1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H27N3O/c24-20(21-13-7-10-18-8-3-1-4-9-18)23-16-11-19(12-17-23)22-14-5-2-6-15-22/h1,3-4,8-9,19H,2,5-6,11-17H2,(H,21,24)
InChIKeyCQUAXQHPUHJLDF-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.70
Rot. Bonds2

About N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide

N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide (PubChem CID 56814231) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide
PubChem CID56814231
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide
SMILESO=C(NCC#Cc1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H27N3O/c24-20(21-13-7-10-18-8-3-1-4-9-18)23-16-11-19(12-17-23)22-14-5-2-6-15-22/h1,3-4,8-9,19H,2,5-6,11-17H2,(H,21,24)
InChIKeyCQUAXQHPUHJLDF-UHFFFAOYSA-N
XLogP2.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
CID 75390214
4-N-phenyl-1-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-1,4-dicarboxamide
CID 112818112
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 2912760
N-benzyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 110874461
N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 86886437
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 78888436
(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 125141015

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide (CID 56814231) is N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide is O=C(NCC#Cc1ccccc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide?
The InChIKey is CQUAXQHPUHJLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-20(21-13-7-10-18-8-3-1-4-9-18)23-16-11-19(12-17-23)22-14-5-2-6-15-22/h1,3-4,8-9,19H,2,5-6,11-17H2,(H,21,24).
What are the key properties of N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide?
N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)-4-piperidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 56814231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).