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

C21H25BrN4O2 — CID 30284468

IUPAC(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C21H25BrN4O2/c22-16-8-6-7-15(13-16)18(25-21(23)28)14-20(27)24-17-9-2-3-10-19(17)26-11-4-1-5-12-26/h2-3,6-10,13,18H,1,4-5,11-12,14H2,(H,24,27)(H3,23,25,28)/t18-/m1/s1
InChIKeyAEPWINRZDSDQTO-GOSISDBHSA-N
MW445.36 g/mol
LogP4.18
Rot. Bonds6

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

(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide (PubChem CID 30284468) has the molecular formula C21H25BrN4O2 and a molecular weight of 445.36 g/mol. Its IUPAC name is (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide
PubChem CID30284468
Molecular FormulaC21H25BrN4O2
Molecular Weight445.36 g/mol
Exact Mass444.12
IUPAC Name(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C21H25BrN4O2/c22-16-8-6-7-15(13-16)18(25-21(23)28)14-20(27)24-17-9-2-3-10-19(17)26-11-4-1-5-12-26/h2-3,6-10,13,18H,1,4-5,11-12,14H2,(H,24,27)(H3,23,25,28)/t18-/m1/s1
InChIKeyAEPWINRZDSDQTO-GOSISDBHSA-N
XLogP4.18
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38713066
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylphenyl)propanamide
CID 29292177
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
CID 25408659
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
CID 24643247
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
[(1R)-1-(3-bromophenyl)-3-[(4R)-4-methylazepan-1-yl]-3-oxopropyl]urea
CID 95021250
(3R)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 39964646
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637720

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide (CID 30284468) is (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide is NC(=O)N[C@H](CC(=O)Nc1ccccc1N1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide?
The InChIKey is AEPWINRZDSDQTO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25BrN4O2/c22-16-8-6-7-15(13-16)18(25-21(23)28)14-20(27)24-17-9-2-3-10-19(17)26-11-4-1-5-12-26/h2-3,6-10,13,18H,1,4-5,11-12,14H2,(H,24,27)(H3,23,25,28)/t18-/m1/s1.
What are the key properties of (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide?
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide has a molecular weight of 445.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 30284468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).