(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone

C16H25N5O — CID 119381223

IUPAC(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCN1CCN(c2cc(C(=O)N3CCCC(N)C3)ccn2)CC1
InChIInChI=1S/C16H25N5O/c1-19-7-9-20(10-8-19)15-11-13(4-5-18-15)16(22)21-6-2-3-14(17)12-21/h4-5,11,14H,2-3,6-10,12,17H2,1H3
InChIKeyBFAMNZXBFSTMHP-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.40
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone

(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone (PubChem CID 119381223) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
PubChem CID119381223
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCN1CCN(c2cc(C(=O)N3CCCC(N)C3)ccn2)CC1
InChIInChI=1S/C16H25N5O/c1-19-7-9-20(10-8-19)15-11-13(4-5-18-15)16(22)21-6-2-3-14(17)12-21/h4-5,11,14H,2-3,6-10,12,17H2,1H3
InChIKeyBFAMNZXBFSTMHP-UHFFFAOYSA-N
XLogP0.40
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide
CID 124993865
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 124943104
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 110149950
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone;dihydrochloride
CID 120659972
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone (CID 119381223) is (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone is CN1CCN(c2cc(C(=O)N3CCCC(N)C3)ccn2)CC1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The InChIKey is BFAMNZXBFSTMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-19-7-9-20(10-8-19)15-11-13(4-5-18-15)16(22)21-6-2-3-14(17)12-21/h4-5,11,14H,2-3,6-10,12,17H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone has a molecular weight of 303.41 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 119381223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).