N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide

C24H34N4O3 — CID 55789986

IUPACN-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)c1
InChIInChI=1S/C24H34N4O3/c1-17-12-18(2)14-20(13-17)24(31)28-7-3-4-19(15-28)23(30)27-10-8-26(9-11-27)16-22(29)25-21-5-6-21/h12-14,19,21H,3-11,15-16H2,1-2H3,(H,25,29)
InChIKeyZUPFJGWDRZBIHY-UHFFFAOYSA-N
MW426.56 g/mol
LogP1.58
Rot. Bonds5

About N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide (PubChem CID 55789986) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide
PubChem CID55789986
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)c1
InChIInChI=1S/C24H34N4O3/c1-17-12-18(2)14-20(13-17)24(31)28-7-3-4-19(15-28)23(30)27-10-8-26(9-11-27)16-22(29)25-21-5-6-21/h12-14,19,21H,3-11,15-16H2,1-2H3,(H,25,29)
InChIKeyZUPFJGWDRZBIHY-UHFFFAOYSA-N
XLogP1.58
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55792197
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37105606
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 55791589
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55789552
N-cyclopropyl-2-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]acetamide
CID 146085050
(3S,4S)-1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952489
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
(3S)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 120514198
[4-(methylamino)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 119563251
(2S)-1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365375
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166605706

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide (CID 55789986) is N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is ZUPFJGWDRZBIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-17-12-18(2)14-20(13-17)24(31)28-7-3-4-19(15-28)23(30)27-10-8-26(9-11-27)16-22(29)25-21-5-6-21/h12-14,19,21H,3-11,15-16H2,1-2H3,(H,25,29).
What are the key properties of N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 426.56 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55789986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).