N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide

C23H29N3O2 — CID 110288064

IUPACN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c27-23(7-4-18-28-22-5-2-1-3-6-22)24-19-8-10-20(11-9-19)25-14-16-26(17-15-25)21-12-13-21/h1-3,5-6,8-11,21H,4,7,12-18H2,(H,24,27)
InChIKeyDBBLQPWIMFHRLP-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.77
Rot. Bonds8

About N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide

N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide (PubChem CID 110288064) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide
PubChem CID110288064
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c27-23(7-4-18-28-22-5-2-1-3-6-22)24-19-8-10-20(11-9-19)25-14-16-26(17-15-25)21-12-13-21/h1-3,5-6,8-11,21H,4,7,12-18H2,(H,24,27)
InChIKeyDBBLQPWIMFHRLP-UHFFFAOYSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
4-phenoxy-N-[(4-piperidin-1-ylphenyl)carbamothioyl]butanamide
CID 19188430
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide
CID 112984226
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide
CID 110637540
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
N-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-N'-(4-propoxyphenyl)pentanediamide
CID 5116288
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide
CID 110666646
N-(2,6-dichlorophenyl)-4-[4-(3-phenoxypropanoylamino)phenyl]piperazine-1-carboxamide
CID 58258409
N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
CID 110601077
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide (CID 110288064) is N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1ccc(N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide?
The InChIKey is DBBLQPWIMFHRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(7-4-18-28-22-5-2-1-3-6-22)24-19-8-10-20(11-9-19)25-14-16-26(17-15-25)21-12-13-21/h1-3,5-6,8-11,21H,4,7,12-18H2,(H,24,27).
What are the key properties of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide?
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide has a molecular weight of 379.50 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 110288064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).