3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide

C18H23N5O2 — CID 51084874

IUPAC3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC(=O)NC1CCCN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C18H23N5O2/c1-13(24)21-16-3-2-10-23(12-16)18(25)19-11-14-4-6-15(7-5-14)17-8-9-20-22-17/h4-9,16H,2-3,10-12H2,1H3,(H,19,25)(H,20,22)(H,21,24)
InChIKeyDFUNUAMTKNANFR-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.89
Rot. Bonds4

About 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide

3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 51084874) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID51084874
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
SMILESCC(=O)NC1CCCN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C18H23N5O2/c1-13(24)21-16-3-2-10-23(12-16)18(25)19-11-14-4-6-15(7-5-14)17-8-9-20-22-17/h4-9,16H,2-3,10-12H2,1H3,(H,19,25)(H,20,22)(H,21,24)
InChIKeyDFUNUAMTKNANFR-UHFFFAOYSA-N
XLogP1.89
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158455
(2S)-2-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]morpholine-4-carboxamide
CID 95158456
(3R)-3-acetamido-N-[[2-(dimethylamino)-4-pyridinyl]methyl]piperidine-1-carboxamide
CID 97098486
(3R)-3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)piperidine-1-carboxamide
CID 95135179
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
1-[(1R,3S)-3-methylsulfanylcyclopentyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 96518795
3-acetamido-N-[[3-(2-methylbutanoylamino)phenyl]methyl]piperidine-1-carboxamide
CID 87008109
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240
(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 42519609
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide (CID 51084874) is 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide is CC(=O)NC1CCCN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)C1.
What is the InChIKey of 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is DFUNUAMTKNANFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(24)21-16-3-2-10-23(12-16)18(25)19-11-14-4-6-15(7-5-14)17-8-9-20-22-17/h4-9,16H,2-3,10-12H2,1H3,(H,19,25)(H,20,22)(H,21,24).
What are the key properties of 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide?
3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 51084874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).