(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide

C21H26N4O3 — CID 9271549

IUPAC(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
SMILESNC(=O)N[C@H](CC(=O)NN1CCCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H26N4O3/c22-21(27)23-19(15-20(26)24-25-12-5-2-6-13-25)16-8-7-11-18(14-16)28-17-9-3-1-4-10-17/h1,3-4,7-11,14,19H,2,5-6,12-13,15H2,(H,24,26)(H3,22,23,27)/t19-/m1/s1
InChIKeyBGXKZGPEPVILFJ-LJQANCHMSA-N
MW382.46 g/mol
LogP3.10
Rot. Bonds7

About (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide

(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide (PubChem CID 9271549) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
PubChem CID9271549
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
SMILESNC(=O)N[C@H](CC(=O)NN1CCCCC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H26N4O3/c22-21(27)23-19(15-20(26)24-25-12-5-2-6-13-25)16-8-7-11-18(14-16)28-17-9-3-1-4-10-17/h1,3-4,7-11,14,19H,2,5-6,12-13,15H2,(H,24,26)(H3,22,23,27)/t19-/m1/s1
InChIKeyBGXKZGPEPVILFJ-LJQANCHMSA-N
XLogP3.10
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
(3R)-3-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-phenoxyphenyl)propanamide
CID 34192223
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
N-[3-(aminomethyl)pentan-3-yl]-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119569555
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450732
3-(carbamoylamino)-N-(2-methylcyclohexyl)-3-(3-phenoxyphenyl)propanamide
CID 43005467
[3-(1,4-diazepan-1-yl)-3-oxo-1-(3-phenoxyphenyl)propyl]urea;hydrochloride
CID 119415336
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
CID 42908374

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide (CID 9271549) is (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide is NC(=O)N[C@H](CC(=O)NN1CCCCC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide?
The InChIKey is BGXKZGPEPVILFJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O3/c22-21(27)23-19(15-20(26)24-25-12-5-2-6-13-25)16-8-7-11-18(14-16)28-17-9-3-1-4-10-17/h1,3-4,7-11,14,19H,2,5-6,12-13,15H2,(H,24,26)(H3,22,23,27)/t19-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide?
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide has a molecular weight of 382.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide is sourced from PubChem (CID 9271549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).