(3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide

C16H24ClN3O — CID 69469614

IUPAC(3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCN[C@H](c1cccc(Cl)c1)C(C)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C16H24ClN3O/c1-11(13-6-4-8-20(10-13)16(18)21)15(19-2)12-5-3-7-14(17)9-12/h3,5,7,9,11,13,15,19H,4,6,8,10H2,1-2H3,(H2,18,21)/t11?,13-,15-/m0/s1
InChIKeyIZRRGRVBUQCZDU-MONRWBKMSA-N
MW309.84 g/mol
LogP3.03
Rot. Bonds4

About (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide

(3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69469614) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69469614
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name(3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCN[C@H](c1cccc(Cl)c1)C(C)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C16H24ClN3O/c1-11(13-6-4-8-20(10-13)16(18)21)15(19-2)12-5-3-7-14(17)9-12/h3,5,7,9,11,13,15,19H,4,6,8,10H2,1-2H3,(H2,18,21)/t11?,13-,15-/m0/s1
InChIKeyIZRRGRVBUQCZDU-MONRWBKMSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69469614) is (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide is CN[C@H](c1cccc(Cl)c1)C(C)[C@H]1CCCN(C(N)=O)C1.
What is the InChIKey of (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is IZRRGRVBUQCZDU-MONRWBKMSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-11(13-6-4-8-20(10-13)16(18)21)15(19-2)12-5-3-7-14(17)9-12/h3,5,7,9,11,13,15,19H,4,6,8,10H2,1-2H3,(H2,18,21)/t11?,13-,15-/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide?
(3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-(3-chlorophenyl)-1-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69469614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).