N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide

C22H30N4O — CID 75463110

IUPACN-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)C2CCCCN2Cc2ccncc2)c1
InChIInChI=1S/C22H30N4O/c1-17(2)25(3)20-8-6-7-19(15-20)24-22(27)21-9-4-5-14-26(21)16-18-10-12-23-13-11-18/h6-8,10-13,15,17,21H,4-5,9,14,16H2,1-3H3,(H,24,27)
InChIKeyPLPFYONPJUVIRK-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.92
Rot. Bonds6

About N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide

N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 75463110) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
PubChem CID75463110
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)C2CCCCN2Cc2ccncc2)c1
InChIInChI=1S/C22H30N4O/c1-17(2)25(3)20-8-6-7-19(15-20)24-22(27)21-9-4-5-14-26(21)16-18-10-12-23-13-11-18/h6-8,10-13,15,17,21H,4-5,9,14,16H2,1-3H3,(H,24,27)
InChIKeyPLPFYONPJUVIRK-UHFFFAOYSA-N
XLogP3.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 97314791
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
1-benzyl-N-[3-(1-methoxyethyl)phenyl]piperidine-2-carboxamide
CID 75373922
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 56782588
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
(2S)-N-[3-(tert-butylsulfonylmethyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 95786903
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
(2S)-1-benzyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 39855223
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide (CID 75463110) is N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide is CC(C)N(C)c1cccc(NC(=O)C2CCCCN2Cc2ccncc2)c1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is PLPFYONPJUVIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17(2)25(3)20-8-6-7-19(15-20)24-22(27)21-9-4-5-14-26(21)16-18-10-12-23-13-11-18/h6-8,10-13,15,17,21H,4-5,9,14,16H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 75463110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).