[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

C17H27ClN4O — CID 120836090

IUPAC[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCc1ccncc1CN1CCCC(C(=O)N2CCNCC2)C1.Cl
InChIInChI=1S/C17H26N4O.ClH/c1-14-4-5-19-11-16(14)13-20-8-2-3-15(12-20)17(22)21-9-6-18-7-10-21;/h4-5,11,15,18H,2-3,6-10,12-13H2,1H3;1H
InChIKeyZWZQBOLGRBNXMY-UHFFFAOYSA-N
MW338.88 g/mol
LogP1.46
Rot. Bonds3

About [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 120836090) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID120836090
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCc1ccncc1CN1CCCC(C(=O)N2CCNCC2)C1.Cl
InChIInChI=1S/C17H26N4O.ClH/c1-14-4-5-19-11-16(14)13-20-8-2-3-15(12-20)17(22)21-9-6-18-7-10-21;/h4-5,11,15,18H,2-3,6-10,12-13H2,1H3;1H
InChIKeyZWZQBOLGRBNXMY-UHFFFAOYSA-N
XLogP1.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836012
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836185
[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836097
[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836030
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836180
piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56874648
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836162
1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114957636

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (CID 120836090) is [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is Cc1ccncc1CN1CCCC(C(=O)N2CCNCC2)C1.Cl.
What is the InChIKey of [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is ZWZQBOLGRBNXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.ClH/c1-14-4-5-19-11-16(14)13-20-8-2-3-15(12-20)17(22)21-9-6-18-7-10-21;/h4-5,11,15,18H,2-3,6-10,12-13H2,1H3;1H.
What are the key properties of [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120836090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).