(2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one

C21H30ClN3O2 — CID 141138264

IUPAC(2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(=O)N1CCC(N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H30ClN3O2/c1-16(26)24-13-9-19(10-14-24)23-20(15-17-5-7-18(22)8-6-17)21(27)25-11-3-2-4-12-25/h5-8,19-20,23H,2-4,9-15H2,1H3/t20-/m1/s1
InChIKeyJIWRLZACDMHING-HXUWFJFHSA-N
MW391.94 g/mol
LogP2.86
Rot. Bonds5

About (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one

(2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 141138264) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID141138264
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name(2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one
SMILESCC(=O)N1CCC(N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H30ClN3O2/c1-16(26)24-13-9-19(10-14-24)23-20(15-17-5-7-18(22)8-6-17)21(27)25-11-3-2-4-12-25/h5-8,19-20,23H,2-4,9-15H2,1H3/t20-/m1/s1
InChIKeyJIWRLZACDMHING-HXUWFJFHSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one (CID 141138264) is (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one is CC(=O)N1CCC(N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCCCC2)CC1.
What is the InChIKey of (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is JIWRLZACDMHING-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-16(26)24-13-9-19(10-14-24)23-20(15-17-5-7-18(22)8-6-17)21(27)25-11-3-2-4-12-25/h5-8,19-20,23H,2-4,9-15H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one?
(2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 391.94 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 141138264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).