1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one

C25H44N4O2 — CID 176684042

IUPAC1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one
SMILESCCCC(=O)C1CCC(C(=O)N2CCC(N3CCC(N4CCN(C)CC4)C3)CC2)CC1
InChIInChI=1S/C25H44N4O2/c1-3-4-24(30)20-5-7-21(8-6-20)25(31)28-12-9-22(10-13-28)29-14-11-23(19-29)27-17-15-26(2)16-18-27/h20-23H,3-19H2,1-2H3
InChIKeyVWVQBCHAONBNNC-UHFFFAOYSA-N
MW432.65 g/mol
LogP2.47
Rot. Bonds6

About 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one

1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one (PubChem CID 176684042) has the molecular formula C25H44N4O2 and a molecular weight of 432.65 g/mol. Its IUPAC name is 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one.

Molecular Properties

Compound Name1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one
PubChem CID176684042
Molecular FormulaC25H44N4O2
Molecular Weight432.65 g/mol
Exact Mass432.35
IUPAC Name1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one
SMILESCCCC(=O)C1CCC(C(=O)N2CCC(N3CCC(N4CCN(C)CC4)C3)CC2)CC1
InChIInChI=1S/C25H44N4O2/c1-3-4-24(30)20-5-7-21(8-6-20)25(31)28-12-9-22(10-13-28)29-14-11-23(19-29)27-17-15-26(2)16-18-27/h20-23H,3-19H2,1-2H3
InChIKeyVWVQBCHAONBNNC-UHFFFAOYSA-N
XLogP2.47
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one with MolForge

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
(1-methylazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 169029279
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693440
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649
1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 56879136
ethane;1-(1-methylpiperidin-4-yl)butan-1-one;1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 163264677
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945971
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
2-hydroxy-1-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95229160
(4-butylcyclohexyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616537
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one?
The IUPAC name of 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one (CID 176684042) is 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one.
What is the SMILES notation for 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one?
The canonical SMILES for 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one is CCCC(=O)C1CCC(C(=O)N2CCC(N3CCC(N4CCN(C)CC4)C3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one?
The InChIKey is VWVQBCHAONBNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N4O2/c1-3-4-24(30)20-5-7-21(8-6-20)25(31)28-12-9-22(10-13-28)29-14-11-23(19-29)27-17-15-26(2)16-18-27/h20-23H,3-19H2,1-2H3.
What are the key properties of 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one?
1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one has a molecular weight of 432.65 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]piperidine-1-carbonyl]cyclohexyl]butan-1-one is sourced from PubChem (CID 176684042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).