N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

C22H26N4O3 — CID 136527944

IUPACN-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)c2ccncc2)C1)C(=O)NCc1ccccc1
InChIInChI=1S/C22H26N4O3/c1-16(20(27)24-14-17-6-3-2-4-7-17)25-21(28)19-8-5-13-26(15-19)22(29)18-9-11-23-12-10-18/h2-4,6-7,9-12,16,19H,5,8,13-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyAICXONQPUVQYLN-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.75
Rot. Bonds6

About N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 136527944) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID136527944
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(C(=O)c2ccncc2)C1)C(=O)NCc1ccccc1
InChIInChI=1S/C22H26N4O3/c1-16(20(27)24-14-17-6-3-2-4-7-17)25-21(28)19-8-5-13-26(15-19)22(29)18-9-11-23-12-10-18/h2-4,6-7,9-12,16,19H,5,8,13-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyAICXONQPUVQYLN-UHFFFAOYSA-N
XLogP1.75
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
1-(4-chlorobenzoyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 24683038
(3S)-1-(4-fluorobenzoyl)-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 39724050
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246
(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 97038069
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014271
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 166232544
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (CID 136527944) is N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(C(=O)c2ccncc2)C1)C(=O)NCc1ccccc1.
What is the InChIKey of N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is AICXONQPUVQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16(20(27)24-14-17-6-3-2-4-7-17)25-21(28)19-8-5-13-26(15-19)22(29)18-9-11-23-12-10-18/h2-4,6-7,9-12,16,19H,5,8,13-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 136527944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).