(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide

C21H25ClN4O2 — CID 29292177

IUPAC(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN4O2/c22-16-10-8-15(9-11-16)18(25-21(23)28)14-20(27)24-17-6-2-3-7-19(17)26-12-4-1-5-13-26/h2-3,6-11,18H,1,4-5,12-14H2,(H,24,27)(H3,23,25,28)/t18-/m1/s1
InChIKeyQZKVBPUENZZTHC-GOSISDBHSA-N
MW400.91 g/mol
LogP4.07
Rot. Bonds6

About (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide

(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide (PubChem CID 29292177) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide
PubChem CID29292177
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN4O2/c22-16-10-8-15(9-11-16)18(25-21(23)28)14-20(27)24-17-6-2-3-7-19(17)26-12-4-1-5-13-26/h2-3,6-11,18H,1,4-5,12-14H2,(H,24,27)(H3,23,25,28)/t18-/m1/s1
InChIKeyQZKVBPUENZZTHC-GOSISDBHSA-N
XLogP4.07
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide
CID 30284468
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
(3R)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 39964646
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 51314280
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32603960
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38713066
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide (CID 29292177) is (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide is NC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide?
The InChIKey is QZKVBPUENZZTHC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c22-16-10-8-15(9-11-16)18(25-21(23)28)14-20(27)24-17-6-2-3-7-19(17)26-12-4-1-5-13-26/h2-3,6-11,18H,1,4-5,12-14H2,(H,24,27)(H3,23,25,28)/t18-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide?
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide has a molecular weight of 400.91 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 29292177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).