(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone

C17H26N4O — CID 119378158

IUPAC(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
SMILESNC1CCCN(C(=O)c2ccc(N3CCCCCC3)nc2)C1
InChIInChI=1S/C17H26N4O/c18-15-6-5-11-21(13-15)17(22)14-7-8-16(19-12-14)20-9-3-1-2-4-10-20/h7-8,12,15H,1-6,9-11,13,18H2
InChIKeyUIPWZLCOSAGPOP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.03
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone

(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone (PubChem CID 119378158) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
PubChem CID119378158
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
SMILESNC1CCCN(C(=O)c2ccc(N3CCCCCC3)nc2)C1
InChIInChI=1S/C17H26N4O/c18-15-6-5-11-21(13-15)17(22)14-7-8-16(19-12-14)20-9-3-1-2-4-10-20/h7-8,12,15H,1-6,9-11,13,18H2
InChIKeyUIPWZLCOSAGPOP-UHFFFAOYSA-N
XLogP2.03
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
N-(2-aminoethyl)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 119479939
[6-(azepan-1-yl)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45228830
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 125120657
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
CID 123523269
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119381184
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737
[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 71926727

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone (CID 119378158) is (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone is NC1CCCN(C(=O)c2ccc(N3CCCCCC3)nc2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone?
The InChIKey is UIPWZLCOSAGPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c18-15-6-5-11-21(13-15)17(22)14-7-8-16(19-12-14)20-9-3-1-2-4-10-20/h7-8,12,15H,1-6,9-11,13,18H2.
What are the key properties of (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone?
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 119378158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).