(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide

C18H25ClN4O4S — CID 100858130

IUPAC(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESC[C@]1(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CCS(=O)(=O)C1
InChIInChI=1S/C18H25ClN4O4S/c1-18(6-8-28(26,27)12-18)22-16(24)11-23-7-2-3-13(10-23)17(25)21-15-5-4-14(19)9-20-15/h4-5,9,13H,2-3,6-8,10-12H2,1H3,(H,22,24)(H,20,21,25)/t13-,18+/m1/s1
InChIKeyRAOWCTXLLFDFEP-ACJLOTCBSA-N
MW428.94 g/mol
LogP1.08
Rot. Bonds5

About (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide

(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 100858130) has the molecular formula C18H25ClN4O4S and a molecular weight of 428.94 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID100858130
Molecular FormulaC18H25ClN4O4S
Molecular Weight428.94 g/mol
Exact Mass428.13
IUPAC Name(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESC[C@]1(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CCS(=O)(=O)C1
InChIInChI=1S/C18H25ClN4O4S/c1-18(6-8-28(26,27)12-18)22-16(24)11-23-7-2-3-13(10-23)17(25)21-15-5-4-14(19)9-20-15/h4-5,9,13H,2-3,6-8,10-12H2,1H3,(H,22,24)(H,20,21,25)/t13-,18+/m1/s1
InChIKeyRAOWCTXLLFDFEP-ACJLOTCBSA-N
XLogP1.08
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
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CID 84564177
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 102977313
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 56525502
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55816121
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
(3S)-1-(4-chlorobenzoyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]piperidine-3-carboxamide
CID 9437422
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide (CID 100858130) is (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide is C[C@]1(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is RAOWCTXLLFDFEP-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H25ClN4O4S/c1-18(6-8-28(26,27)12-18)22-16(24)11-23-7-2-3-13(10-23)17(25)21-15-5-4-14(19)9-20-15/h4-5,9,13H,2-3,6-8,10-12H2,1H3,(H,22,24)(H,20,21,25)/t13-,18+/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide?
(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 428.94 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 100858130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).