(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide

C13H17ClN2O3 — CID 56909428

IUPAC(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CC[C@H](O)[C@@H](O)C1
InChIInChI=1S/C13H17ClN2O3/c14-10-3-1-9(2-4-10)7-15-13(19)16-6-5-11(17)12(18)8-16/h1-4,11-12,17-18H,5-8H2,(H,15,19)/t11-,12-/m0/s1
InChIKeyWJPJNUXILJZSBF-RYUDHWBXSA-N
MW284.74 g/mol
LogP0.98
Rot. Bonds2

About (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide

(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide (PubChem CID 56909428) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide
PubChem CID56909428
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CC[C@H](O)[C@@H](O)C1
InChIInChI=1S/C13H17ClN2O3/c14-10-3-1-9(2-4-10)7-15-13(19)16-6-5-11(17)12(18)8-16/h1-4,11-12,17-18H,5-8H2,(H,15,19)/t11-,12-/m0/s1
InChIKeyWJPJNUXILJZSBF-RYUDHWBXSA-N
XLogP0.98
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
N-[(4-chlorophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108899201
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505510
(3R)-N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)azepane-1-carboxamide
CID 99979735
methyl 4-[(4-chlorophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 108899356
N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638035
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654576
4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113004292
N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119058526
N-[(4-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592378

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide?
The IUPAC name of (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide (CID 56909428) is (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide?
The canonical SMILES for (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CC[C@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide?
The InChIKey is WJPJNUXILJZSBF-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-10-3-1-9(2-4-10)7-15-13(19)16-6-5-11(17)12(18)8-16/h1-4,11-12,17-18H,5-8H2,(H,15,19)/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide?
(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide is sourced from PubChem (CID 56909428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).