(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C14H19ClN4O2 — CID 94135862

IUPAC(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESC[C@@H](C(N)=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H19ClN4O2/c1-9(13(16)20)19-6-2-3-10(8-19)14(21)18-12-5-4-11(15)7-17-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,16,20)(H,17,18,21)/t9-,10-/m0/s1
InChIKeyUMDAGGKWGWNUIE-UWVGGRQHSA-N
MW310.79 g/mol
LogP1.26
Rot. Bonds4

About (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 94135862) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID94135862
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESC[C@@H](C(N)=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C14H19ClN4O2/c1-9(13(16)20)19-6-2-3-10(8-19)14(21)18-12-5-4-11(15)7-17-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,16,20)(H,17,18,21)/t9-,10-/m0/s1
InChIKeyUMDAGGKWGWNUIE-UWVGGRQHSA-N
XLogP1.26
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
(3R)-1-[(2R)-1-amino-1-oxopropan-2-yl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 124818575
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55930502
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-(triazol-2-yl)piperidin-1-yl]propanamide
CID 164584610
N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019983
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133359806
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 94135862) is (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is C[C@@H](C(N)=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is UMDAGGKWGWNUIE-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-9(13(16)20)19-6-2-3-10(8-19)14(21)18-12-5-4-11(15)7-17-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H2,16,20)(H,17,18,21)/t9-,10-/m0/s1.
What are the key properties of (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 94135862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).