N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C18H20N4O — CID 84597437

IUPACN-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(NCC#Cc1ccccc1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C18H20N4O/c23-18(19-11-6-9-15-7-2-1-3-8-15)22-12-5-4-10-17(22)16-13-20-21-14-16/h1-3,7-8,13-14,17H,4-5,10-12H2,(H,19,23)(H,20,21)
InChIKeyRJNASDAJZOANRJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds2

About N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 84597437) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID84597437
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(NCC#Cc1ccccc1)N1CCCCC1c1cn[nH]c1
InChIInChI=1S/C18H20N4O/c23-18(19-11-6-9-15-7-2-1-3-8-15)22-12-5-4-10-17(22)16-13-20-21-14-16/h1-3,7-8,13-14,17H,4-5,10-12H2,(H,19,23)(H,20,21)
InChIKeyRJNASDAJZOANRJ-UHFFFAOYSA-N
XLogP2.70
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573367
N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597428
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
(2R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 98573372
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 127774583
N-[3-(propanoylamino)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521565
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
(2S)-N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 129446287
N-[2-(cyclopropylmethoxy)phenyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75521633
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99777080
(2R)-N-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 129382165

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 84597437) is N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(NCC#Cc1ccccc1)N1CCCCC1c1cn[nH]c1.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is RJNASDAJZOANRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(19-11-6-9-15-7-2-1-3-8-15)22-12-5-4-10-17(22)16-13-20-21-14-16/h1-3,7-8,13-14,17H,4-5,10-12H2,(H,19,23)(H,20,21).
What are the key properties of N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 84597437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).