(4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride

C16H26Cl2N4O — CID 154910494

IUPAC(4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)c2cc(C3CCNCC3)ccn2)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-19-8-10-20(11-9-19)16(21)15-12-14(4-7-18-15)13-2-5-17-6-3-13;;/h4,7,12-13,17H,2-3,5-6,8-11H2,1H3;2*1H
InChIKeyZKZRKNVOFCZGQW-UHFFFAOYSA-N
MW361.32 g/mol
LogP1.78
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride

(4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride (PubChem CID 154910494) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride
PubChem CID154910494
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC Name(4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)c2cc(C3CCNCC3)ccn2)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-19-8-10-20(11-9-19)16(21)15-12-14(4-7-18-15)13-2-5-17-6-3-13;;/h4,7,12-13,17H,2-3,5-6,8-11H2,1H3;2*1H
InChIKeyZKZRKNVOFCZGQW-UHFFFAOYSA-N
XLogP1.78
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 110271497
1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide
CID 95847018
[(3aR,6S,7aS)-6-hydroxy-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-(4-piperidin-4-yl-2-pyridinyl)methanone
CID 118775360
N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide
CID 122570407
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
(4-methylpiperazin-1-yl)-(5-piperidin-4-yl-1H-pyrazol-4-yl)methanone
CID 46278483
4-cyclopropyl-N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 154869705
2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
CID 167994882
N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084314
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353
2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109084325

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride (CID 154910494) is (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride is CN1CCN(C(=O)c2cc(C3CCNCC3)ccn2)CC1.Cl.Cl.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride?
The InChIKey is ZKZRKNVOFCZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.2ClH/c1-19-8-10-20(11-9-19)16(21)15-12-14(4-7-18-15)13-2-5-17-6-3-13;;/h4,7,12-13,17H,2-3,5-6,8-11H2,1H3;2*1H.
What are the key properties of (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride?
(4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride has a molecular weight of 361.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 154910494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).