(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide

C14H18Cl2N2O — CID 840585

IUPAC(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2N2O/c1-9-5-10(2)8-18(7-9)14(19)17-11-3-4-12(15)13(16)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,19)/t9-,10-/m0/s1
InChIKeyPSBPOAYCRTVHOS-UWVGGRQHSA-N
MW301.22 g/mol
LogP4.50
Rot. Bonds1

About (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide

(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 840585) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID840585
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H18Cl2N2O/c1-9-5-10(2)8-18(7-9)14(19)17-11-3-4-12(15)13(16)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,19)/t9-,10-/m0/s1
InChIKeyPSBPOAYCRTVHOS-UWVGGRQHSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(3R,5R)-N-(4-chloro-3-nitrophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 27493583
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811
1-[(4-chloro-3-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103008
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61192662
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide (CID 840585) is (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide is C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is PSBPOAYCRTVHOS-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9-5-10(2)8-18(7-9)14(19)17-11-3-4-12(15)13(16)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,19)/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide?
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 840585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).