[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone

C15H23N3O2 — CID 56880493

IUPAC[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone
SMILESCCCc1cc(C(=O)N2CC[C@@H](N)[C@@H](OC)C2)ccn1
InChIInChI=1S/C15H23N3O2/c1-3-4-12-9-11(5-7-17-12)15(19)18-8-6-13(16)14(10-18)20-2/h5,7,9,13-14H,3-4,6,8,10,16H2,1-2H3/t13-,14+/m1/s1
InChIKeyDVWTZGZKHYBZOL-KGLIPLIRSA-N
MW277.37 g/mol
LogP1.22
Rot. Bonds4

About [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone

[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone (PubChem CID 56880493) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone
PubChem CID56880493
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone
SMILESCCCc1cc(C(=O)N2CC[C@@H](N)[C@@H](OC)C2)ccn1
InChIInChI=1S/C15H23N3O2/c1-3-4-12-9-11(5-7-17-12)15(19)18-8-6-13(16)14(10-18)20-2/h5,7,9,13-14H,3-4,6,8,10,16H2,1-2H3/t13-,14+/m1/s1
InChIKeyDVWTZGZKHYBZOL-KGLIPLIRSA-N
XLogP1.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 56876878
methyl N-[[4-(3-aminopyrrolidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530810
[2-(aminomethyl)-4-pyridinyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113417381
(3S)-4-benzyl-3-ethyl-1-(2-propylpyridine-4-carbonyl)-1,4-diazepan-5-one
CID 95559831
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 133122142
(3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 103538720
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(3-phenyltriazol-4-yl)methanone
CID 133128635
butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 137371260
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone?
The IUPAC name of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone (CID 56880493) is [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone.
What is the SMILES notation for [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone?
The canonical SMILES for [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone is CCCc1cc(C(=O)N2CC[C@@H](N)[C@@H](OC)C2)ccn1.
What is the InChIKey of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone?
The InChIKey is DVWTZGZKHYBZOL-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-4-12-9-11(5-7-17-12)15(19)18-8-6-13(16)14(10-18)20-2/h5,7,9,13-14H,3-4,6,8,10,16H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone?
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(2-propyl-4-pyridinyl)methanone is sourced from PubChem (CID 56880493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).