(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride

C15H23ClN4O — CID 22721764

IUPAC(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C2CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C15H22N4O.ClH/c16-13-5-10-19(11-13)15(20)12-3-8-18(9-4-12)14-1-6-17-7-2-14;/h1-2,6-7,12-13H,3-5,8-11,16H2;1H
InChIKeyUYINAURTFKCHDW-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.28
Rot. Bonds2

About (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride

(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride (PubChem CID 22721764) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
PubChem CID22721764
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C2CCN(c3ccncc3)CC2)C1
InChIInChI=1S/C15H22N4O.ClH/c16-13-5-10-19(11-13)15(20)12-3-8-18(9-4-12)14-1-6-17-7-2-14;/h1-2,6-7,12-13H,3-5,8-11,16H2;1H
InChIKeyUYINAURTFKCHDW-UHFFFAOYSA-N
XLogP1.28
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

piperazin-1-yl-(1-pyridin-4-ylpiperidin-4-yl)methanone;trihydrochloride
CID 22721820
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 92882193
5-[1-(1-pyridin-4-ylpiperidine-4-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 167762311
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701
(E)-2-(5-bromothiophen-2-yl)-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 11455486
[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 166623326
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride (CID 22721764) is (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride is Cl.NC1CCN(C(=O)C2CCN(c3ccncc3)CC2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride?
The InChIKey is UYINAURTFKCHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.ClH/c16-13-5-10-19(11-13)15(20)12-3-8-18(9-4-12)14-1-6-17-7-2-14;/h1-2,6-7,12-13H,3-5,8-11,16H2;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 22721764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).