(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C20H26N4O — CID 1452732

IUPAC(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)n1
InChIInChI=1S/C20H26N4O/c1-14(2)16-6-8-18(9-7-16)23-19(25)17-5-4-12-24(13-17)20-21-11-10-15(3)22-20/h6-11,14,17H,4-5,12-13H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyGHTWDIZFTRMYHY-KRWDZBQOSA-N
MW338.46 g/mol
LogP3.76
Rot. Bonds4

About (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 1452732) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID1452732
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)n1
InChIInChI=1S/C20H26N4O/c1-14(2)16-6-8-18(9-7-16)23-19(25)17-5-4-12-24(13-17)20-21-11-10-15(3)22-20/h6-11,14,17H,4-5,12-13H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyGHTWDIZFTRMYHY-KRWDZBQOSA-N
XLogP3.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
(3S)-N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452724
N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223412
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 23609722
1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3223401
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 1452732) is (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is Cc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)n1.
What is the InChIKey of (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is GHTWDIZFTRMYHY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)16-6-8-18(9-7-16)23-19(25)17-5-4-12-24(13-17)20-21-11-10-15(3)22-20/h6-11,14,17H,4-5,12-13H2,1-3H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 1452732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).