4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

C25H32N4O3 — CID 93200047

IUPAC4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C25H32N4O3/c1-18(2)27-25(32)29-15-13-20(14-16-29)22(28-23(30)21-11-7-4-8-12-21)24(31)26-17-19-9-5-3-6-10-19/h3-12,18,20,22H,13-17H2,1-2H3,(H,26,31)(H,27,32)(H,28,30)/t22-/m1/s1
InChIKeyCDVGRDSLCMYMIE-JOCHJYFZSA-N
MW436.56 g/mol
LogP2.93
Rot. Bonds7

About 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 93200047) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID93200047
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C25H32N4O3/c1-18(2)27-25(32)29-15-13-20(14-16-29)22(28-23(30)21-11-7-4-8-12-21)24(31)26-17-19-9-5-3-6-10-19/h3-12,18,20,22H,13-17H2,1-2H3,(H,26,31)(H,27,32)(H,28,30)/t22-/m1/s1
InChIKeyCDVGRDSLCMYMIE-JOCHJYFZSA-N
XLogP2.93
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200042
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93183237
4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200079
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199391
4-[1-benzamido-2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020588
4-[(1R)-1-benzamido-2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200031
4-[(1R)-2-(2-methoxyethylamino)-1-[(4-methylbenzoyl)amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200107
4-[1-[(4-methoxybenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020666
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199280
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93183233
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 93200047) is 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC([C@@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is CDVGRDSLCMYMIE-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18(2)27-25(32)29-15-13-20(14-16-29)22(28-23(30)21-11-7-4-8-12-21)24(31)26-17-19-9-5-3-6-10-19/h3-12,18,20,22H,13-17H2,1-2H3,(H,26,31)(H,27,32)(H,28,30)/t22-/m1/s1.
What are the key properties of 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 93200047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).