(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride

C15H24Cl2N4O — CID 119378111

IUPAC(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2ccc(N3CCCC3)nc2)C1
InChIInChI=1S/C15H22N4O.2ClH/c16-13-4-3-9-19(11-13)15(20)12-5-6-14(17-10-12)18-7-1-2-8-18;;/h5-6,10,13H,1-4,7-9,11,16H2;2*1H
InChIKeyRIHPIGZGEGBZCZ-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.09
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride

(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride (PubChem CID 119378111) has the molecular formula C15H24Cl2N4O and a molecular weight of 347.29 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
PubChem CID119378111
Molecular FormulaC15H24Cl2N4O
Molecular Weight347.29 g/mol
Exact Mass346.13
IUPAC Name(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2ccc(N3CCCC3)nc2)C1
InChIInChI=1S/C15H22N4O.2ClH/c16-13-4-3-9-19(11-13)15(20)12-5-6-14(17-10-12)18-7-1-2-8-18;;/h5-6,10,13H,1-4,7-9,11,16H2;2*1H
InChIKeyRIHPIGZGEGBZCZ-UHFFFAOYSA-N
XLogP2.09
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119381184
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540
N-(2-aminoethyl)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 119479939
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
[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
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
CID 123523269
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 95332115
[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 71926727
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride (CID 119378111) is (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride is Cl.Cl.NC1CCCN(C(=O)c2ccc(N3CCCC3)nc2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride?
The InChIKey is RIHPIGZGEGBZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.2ClH/c16-13-4-3-9-19(11-13)15(20)12-5-6-14(17-10-12)18-7-1-2-8-18;;/h5-6,10,13H,1-4,7-9,11,16H2;2*1H.
What are the key properties of (3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride?
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.09, 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-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119378111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).