(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone

C20H28N4O2 — CID 162627603

IUPAC(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESCC1CN(C2CC2)CCN1C(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C20H28N4O2/c1-15-14-23(18-2-3-18)12-13-24(15)20(26)17-6-10-22(11-7-17)19(25)16-4-8-21-9-5-16/h4-5,8-9,15,17-18H,2-3,6-7,10-14H2,1H3
InChIKeyLGBLQDYXWNANQO-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.63
Rot. Bonds3

About (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone

(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 162627603) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
PubChem CID162627603
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
SMILESCC1CN(C2CC2)CCN1C(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C20H28N4O2/c1-15-14-23(18-2-3-18)12-13-24(15)20(26)17-6-10-22(11-7-17)19(25)16-4-8-21-9-5-16/h4-5,8-9,15,17-18H,2-3,6-7,10-14H2,1H3
InChIKeyLGBLQDYXWNANQO-UHFFFAOYSA-N
XLogP1.63
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[4-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 72849329
[1-(4-methylbenzoyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94861219
(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 157019570
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
CID 119470241
(8aS)-7-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126432958
[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 131908612
(1-benzoylpiperidin-4-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472389
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 155506930
(2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55586702
2-[(3R)-4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]morpholin-3-yl]acetic acid
CID 95728578
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone (CID 162627603) is (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone is CC1CN(C2CC2)CCN1C(=O)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is LGBLQDYXWNANQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-14-23(18-2-3-18)12-13-24(15)20(26)17-6-10-22(11-7-17)19(25)16-4-8-21-9-5-16/h4-5,8-9,15,17-18H,2-3,6-7,10-14H2,1H3.
What are the key properties of (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone?
(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 162627603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).