(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide

C20H30N4O3 — CID 52527330

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H30N4O3/c1-4-14(2)22-19(26)15(3)23-20(27)21-13-16-8-10-17(11-9-16)24-12-6-5-7-18(24)25/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,22,26)(H2,21,23,27)/t14-,15-/m1/s1
InChIKeySGINMHWMCQHBPK-HUUCEWRRSA-N
MW374.49 g/mol
LogP2.31
Rot. Bonds7

About (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide (PubChem CID 52527330) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
PubChem CID52527330
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H30N4O3/c1-4-14(2)22-19(26)15(3)23-20(27)21-13-16-8-10-17(11-9-16)24-12-6-5-7-18(24)25/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,22,26)(H2,21,23,27)/t14-,15-/m1/s1
InChIKeySGINMHWMCQHBPK-HUUCEWRRSA-N
XLogP2.31
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 51127537
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
CID 8589059
(2R)-N-ethyl-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]propanamide
CID 9470724
(2R)-N-[(2R)-butan-2-yl]-2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 94806328
1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 30692289
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 17489033
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N-butan-2-yl-3-[[[N'-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111412338
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51239198
(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 119694543
2-methyl-1-(3-methylbutan-2-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111002084

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide (CID 52527330) is (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide?
The InChIKey is SGINMHWMCQHBPK-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-14(2)22-19(26)15(3)23-20(27)21-13-16-8-10-17(11-9-16)24-12-6-5-7-18(24)25/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,22,26)(H2,21,23,27)/t14-,15-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide has a molecular weight of 374.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide is sourced from PubChem (CID 52527330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).