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

C21H29N5O — CID 99713395

IUPACN-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCC1CCN(c2cccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)c2)CC1
InChIInChI=1S/C21H29N5O/c1-16-6-11-25(12-7-16)19-4-2-3-18(15-19)23-21(27)26-13-8-17(9-14-26)20-5-10-22-24-20/h2-5,10,15-17H,6-9,11-14H2,1H3,(H,22,24)(H,23,27)
InChIKeyFGMKHICLRSHTHU-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.06
Rot. Bonds3

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

N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 99713395) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID99713395
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCC1CCN(c2cccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)c2)CC1
InChIInChI=1S/C21H29N5O/c1-16-6-11-25(12-7-16)19-4-2-3-18(15-19)23-21(27)26-13-8-17(9-14-26)20-5-10-22-24-20/h2-5,10,15-17H,6-9,11-14H2,1H3,(H,22,24)(H,23,27)
InChIKeyFGMKHICLRSHTHU-UHFFFAOYSA-N
XLogP4.06
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 72895536
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126788238
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126796006
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122090082
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366
(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99606652
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145
N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438216
N-[3-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 97438215

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 99713395) is N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CC1CCN(c2cccc(NC(=O)N3CCC(c4ccn[nH]4)CC3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is FGMKHICLRSHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16-6-11-25(12-7-16)19-4-2-3-18(15-19)23-21(27)26-13-8-17(9-14-26)20-5-10-22-24-20/h2-5,10,15-17H,6-9,11-14H2,1H3,(H,22,24)(H,23,27).
What are the key properties of N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 99713395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).