N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide

C25H39N3O2 — CID 3578514

IUPACN-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C25H39N3O2/c1-2-3-4-5-10-24(29)26-22-12-14-23(15-13-22)27-17-19-28(20-18-27)25(30)16-11-21-8-6-7-9-21/h12-15,21H,2-11,16-20H2,1H3,(H,26,29)
InChIKeyRJTRILARRZKYHY-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.21
Rot. Bonds10

About N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide

N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide (PubChem CID 3578514) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide.

Molecular Properties

Compound NameN-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide
PubChem CID3578514
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC NameN-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1
InChIInChI=1S/C25H39N3O2/c1-2-3-4-5-10-24(29)26-22-12-14-23(15-13-22)27-17-19-28(20-18-27)25(30)16-11-21-8-6-7-9-21/h12-15,21H,2-11,16-20H2,1H3,(H,26,29)
InChIKeyRJTRILARRZKYHY-UHFFFAOYSA-N
XLogP5.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]anilino]-4-oxobutanoate
CID 3578516
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
CID 42767183
N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]nonanamide
CID 4553129
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1056019
N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]hexanamide
CID 5128882
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]octanamide
CID 3880264
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]decanamide
CID 5188422
1-(4-methylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea
CID 3946205
3-cyclopentyl-N-[4-[4-[(3R)-3,5,5-trimethylhexanoyl]piperazin-1-yl]phenyl]propanamide
CID 1056160
N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]nonanamide
CID 3935359
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
2-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]propanamide
CID 3919353

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide?
The IUPAC name of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide (CID 3578514) is N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide.
What is the SMILES notation for N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide?
The canonical SMILES for N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide?
The InChIKey is RJTRILARRZKYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-2-3-4-5-10-24(29)26-22-12-14-23(15-13-22)27-17-19-28(20-18-27)25(30)16-11-21-8-6-7-9-21/h12-15,21H,2-11,16-20H2,1H3,(H,26,29).
What are the key properties of N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide?
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide has a molecular weight of 413.61 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]heptanamide is sourced from PubChem (CID 3578514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).