N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C22H31N5O — CID 72895536

IUPACN-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCC1CCCCN1Cc1cccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)c1
InChIInChI=1S/C22H31N5O/c1-17-5-2-3-12-27(17)16-18-6-4-7-20(15-18)24-22(28)26-13-9-19(10-14-26)21-8-11-23-25-21/h4,6-8,11,15,17,19H,2-3,5,9-10,12-14,16H2,1H3,(H,23,25)(H,24,28)
InChIKeyPVERKIKIRYWBSN-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.20
Rot. Bonds4

About N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 72895536) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID72895536
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCC1CCCCN1Cc1cccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)c1
InChIInChI=1S/C22H31N5O/c1-17-5-2-3-12-27(17)16-18-6-4-7-20(15-18)24-22(28)26-13-9-19(10-14-26)21-8-11-23-25-21/h4,6-8,11,15,17,19H,2-3,5,9-10,12-14,16H2,1H3,(H,23,25)(H,24,28)
InChIKeyPVERKIKIRYWBSN-UHFFFAOYSA-N
XLogP4.20
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 99713395
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126788238
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126792520
N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126796006
1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea
CID 72848016
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
1-(1H-indol-4-ylmethyl)-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 125157393
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 46951966
1-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118779593
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 72895536) is N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CC1CCCCN1Cc1cccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)c1.
What is the InChIKey of N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PVERKIKIRYWBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-17-5-2-3-12-27(17)16-18-6-4-7-20(15-18)24-22(28)26-13-9-19(10-14-26)21-8-11-23-25-21/h4,6-8,11,15,17,19H,2-3,5,9-10,12-14,16H2,1H3,(H,23,25)(H,24,28).
What are the key properties of N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 72895536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).