2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C24H31N5O3 — CID 51724685

IUPAC2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](CNC(N)=O)C1)c1ccccc1
InChIInChI=1S/C24H31N5O3/c1-17(19-9-3-2-4-10-19)27-23(31)20-11-5-6-12-21(20)28-22(30)16-29-13-7-8-18(15-29)14-26-24(25)32/h2-6,9-12,17-18H,7-8,13-16H2,1H3,(H,27,31)(H,28,30)(H3,25,26,32)/t17-,18+/m0/s1
InChIKeyXWNZVNFFWYBSDZ-ZWKOTPCHSA-N
MW437.54 g/mol
LogP2.50
Rot. Bonds8

About 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 51724685) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID51724685
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](CNC(N)=O)C1)c1ccccc1
InChIInChI=1S/C24H31N5O3/c1-17(19-9-3-2-4-10-19)27-23(31)20-11-5-6-12-21(20)28-22(30)16-29-13-7-8-18(15-29)14-26-24(25)32/h2-6,9-12,17-18H,7-8,13-16H2,1H3,(H,27,31)(H,28,30)(H3,25,26,32)/t17-,18+/m0/s1
InChIKeyXWNZVNFFWYBSDZ-ZWKOTPCHSA-N
XLogP2.50
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide with MolForge

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Related Compounds

(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
CID 9304747
1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530563
1-[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-4-carboxamide
CID 8530568
N-(1-phenylethyl)-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542180
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 17422445
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 40891642
2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
CID 95175871
N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 51724685) is 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](CNC(N)=O)C1)c1ccccc1.
What is the InChIKey of 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is XWNZVNFFWYBSDZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-17(19-9-3-2-4-10-19)27-23(31)20-11-5-6-12-21(20)28-22(30)16-29-13-7-8-18(15-29)14-26-24(25)32/h2-6,9-12,17-18H,7-8,13-16H2,1H3,(H,27,31)(H,28,30)(H3,25,26,32)/t17-,18+/m0/s1.
What are the key properties of 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 2.50, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3R)-3-[(carbamoylamino)methyl]piperidin-1-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 51724685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).