4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide

C24H35N3O2 — CID 109144322

IUPAC4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C24H35N3O2/c1-2-14-25-23(28)21-10-12-22(13-11-21)24(29)27-18-16-26(17-19-27)15-6-9-20-7-4-3-5-8-20/h3-9,21-22H,2,10-19H2,1H3,(H,25,28)/b9-6+
InChIKeyHNACXXKHGVFCMF-RMKNXTFCSA-N
MW397.56 g/mol
LogP3.18
Rot. Bonds7

About 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide

4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide (PubChem CID 109144322) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
PubChem CID109144322
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C24H35N3O2/c1-2-14-25-23(28)21-10-12-22(13-11-21)24(29)27-18-16-26(17-19-27)15-6-9-20-7-4-3-5-8-20/h3-9,21-22H,2,10-19H2,1H3,(H,25,28)/b9-6+
InChIKeyHNACXXKHGVFCMF-RMKNXTFCSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111218531
N-[2-[[ethylamino-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111218601
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970257
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6038045
3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 3132194
(1R,6R)-3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 91168088
3-[[N-methyl-C-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111218370
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110687297
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144318
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide (CID 109144322) is 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide is CCCNC(=O)C1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1.
What is the InChIKey of 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide?
The InChIKey is HNACXXKHGVFCMF-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-2-14-25-23(28)21-10-12-22(13-11-21)24(29)27-18-16-26(17-19-27)15-6-9-20-7-4-3-5-8-20/h3-9,21-22H,2,10-19H2,1H3,(H,25,28)/b9-6+.
What are the key properties of 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide?
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 109144322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).