4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide

C25H40N4O2 — CID 70956348

IUPAC4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
SMILESCCC(=O)c1cccc(N2CCN(CCC3CCC(NC(=O)CCCN)CC3)CC2)c1
InChIInChI=1S/C25H40N4O2/c1-2-24(30)21-5-3-6-23(19-21)29-17-15-28(16-18-29)14-12-20-8-10-22(11-9-20)27-25(31)7-4-13-26/h3,5-6,19-20,22H,2,4,7-18,26H2,1H3,(H,27,31)
InChIKeyWFNYGPWXQBLUCR-UHFFFAOYSA-N
MW428.62 g/mol
LogP3.21
Rot. Bonds10

About 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide

4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide (PubChem CID 70956348) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
PubChem CID70956348
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide
SMILESCCC(=O)c1cccc(N2CCN(CCC3CCC(NC(=O)CCCN)CC3)CC2)c1
InChIInChI=1S/C25H40N4O2/c1-2-24(30)21-5-3-6-23(19-21)29-17-15-28(16-18-29)14-12-20-8-10-22(11-9-20)27-25(31)7-4-13-26/h3,5-6,19-20,22H,2,4,7-18,26H2,1H3,(H,27,31)
InChIKeyWFNYGPWXQBLUCR-UHFFFAOYSA-N
XLogP3.21
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[4-[2-[4-(3-methylsulfonylphenyl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 174589477
2-cyano-N-[4-[2-[4-(3-hydroxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 118481083
2-oxo-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanamide;hydrochloride
CID 90323221
3-[4-[2-[4-(4-methoxybutylamino)cyclohexyl]ethyl]piperazin-1-yl]benzamide
CID 68811711
2-ethoxy-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]acetamide;hydrochloride
CID 161309199
N'-hydrazinylidene-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]butanediamide
CID 118486309
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one
CID 122412871
N,2-bis[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]cyclohexyl]cyclopentene-1-carboxamide
CID 140543052
2-cyano-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanamide
CID 24781656
N-cyclopropyl-3-[1-(3-morpholin-4-ylbenzoyl)piperidin-4-yl]propanamide
CID 42292108

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide?
The IUPAC name of 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide (CID 70956348) is 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide?
The canonical SMILES for 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide is CCC(=O)c1cccc(N2CCN(CCC3CCC(NC(=O)CCCN)CC3)CC2)c1.
What is the InChIKey of 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide?
The InChIKey is WFNYGPWXQBLUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-2-24(30)21-5-3-6-23(19-21)29-17-15-28(16-18-29)14-12-20-8-10-22(11-9-20)27-25(31)7-4-13-26/h3,5-6,19-20,22H,2,4,7-18,26H2,1H3,(H,27,31).
What are the key properties of 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide?
4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide has a molecular weight of 428.62 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-[4-(3-propanoylphenyl)piperazin-1-yl]ethyl]cyclohexyl]butanamide is sourced from PubChem (CID 70956348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).