[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C27H35N3O2 — CID 24900546

IUPAC[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCC(Nc3ccc(C(=O)c4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C27H35N3O2/c1-20(2)29-16-18-30(19-17-29)27(32)23-10-14-25(15-11-23)28-24-12-8-22(9-13-24)26(31)21-6-4-3-5-7-21/h3-9,12-13,20,23,25,28H,10-11,14-19H2,1-2H3
InChIKeyNKCPVPROGTVZJY-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.44
Rot. Bonds6

About [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24900546) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24900546
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2CCC(Nc3ccc(C(=O)c4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C27H35N3O2/c1-20(2)29-16-18-30(19-17-29)27(32)23-10-14-25(15-11-23)28-24-12-8-22(9-13-24)26(31)21-6-4-3-5-7-21/h3-9,12-13,20,23,25,28H,10-11,14-19H2,1-2H3
InChIKeyNKCPVPROGTVZJY-UHFFFAOYSA-N
XLogP4.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dihydro-1H-inden-1-ylamino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24901128
[4-(1,3-dihydroisoindol-2-yl)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 24901057
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
N-ethyl-4-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43728511
3-[4-(1-propan-2-ylpiperidine-4-carbonyl)piperazin-1-yl]benzoic acid
CID 72851474
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 42119873
[4-(4-chloroanilino)cyclohexyl]-(3-methyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 68596517
[(3S)-1-phenylpyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;propan-2-one
CID 143211663
N-(4-benzoylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630393
4-[[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]amino]benzamide
CID 69113364
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24900546) is [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2CCC(Nc3ccc(C(=O)c4ccccc4)cc3)CC2)CC1.
What is the InChIKey of [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is NKCPVPROGTVZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-20(2)29-16-18-30(19-17-29)27(32)23-10-14-25(15-11-23)28-24-12-8-22(9-13-24)26(31)21-6-4-3-5-7-21/h3-9,12-13,20,23,25,28H,10-11,14-19H2,1-2H3.
What are the key properties of [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 433.60 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoylanilino)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24900546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).