(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide

C12H13ClF3N3O2 — CID 100647448

IUPAC(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H13ClF3N3O2/c13-8-4-7(12(14,15)16)5-18-9(8)19-3-1-2-11(21,6-19)10(17)20/h4-5,21H,1-3,6H2,(H2,17,20)/t11-/m0/s1
InChIKeyNXSSFRRQZPZXQN-NSHDSACASA-N
MW323.70 g/mol
LogP1.57
Rot. Bonds2

About (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide

(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 100647448) has the molecular formula C12H13ClF3N3O2 and a molecular weight of 323.70 g/mol. Its IUPAC name is (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID100647448
Molecular FormulaC12H13ClF3N3O2
Molecular Weight323.70 g/mol
Exact Mass323.06
IUPAC Name(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C12H13ClF3N3O2/c13-8-4-7(12(14,15)16)5-18-9(8)19-3-1-2-11(21,6-19)10(17)20/h4-5,21H,1-3,6H2,(H2,17,20)/t11-/m0/s1
InChIKeyNXSSFRRQZPZXQN-NSHDSACASA-N
XLogP1.57
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 71852720
9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
CID 11524500
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 8908325
1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 128964566
(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129323035
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 26291024
6-(5-azaspiro[2.5]octan-5-yl)-5-chloropyridine-3-carboxamide
CID 133480926
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[4-(piperidine-1-carbonyl)piperidin-1-yl]methanone
CID 112767126
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide (CID 100647448) is (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide is NC(=O)[C@]1(O)CCCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is NXSSFRRQZPZXQN-NSHDSACASA-N. The full InChI is InChI=1S/C12H13ClF3N3O2/c13-8-4-7(12(14,15)16)5-18-9(8)19-3-1-2-11(21,6-19)10(17)20/h4-5,21H,1-3,6H2,(H2,17,20)/t11-/m0/s1.
What are the key properties of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide?
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 323.70 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 100647448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).