N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C27H35FN4O3 — CID 55885131

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C27H35FN4O3/c28-23-6-8-24(9-7-23)31-19-17-30(18-20-31)16-13-29-27(34)22-10-14-32(15-11-22)26(33)12-21-35-25-4-2-1-3-5-25/h1-9,22H,10-21H2,(H,29,34)
InChIKeyDITRYFFVFKVFFP-UHFFFAOYSA-N
MW482.60 g/mol
LogP2.77
Rot. Bonds9

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55885131) has the molecular formula C27H35FN4O3 and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55885131
Molecular FormulaC27H35FN4O3
Molecular Weight482.60 g/mol
Exact Mass482.27
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C27H35FN4O3/c28-23-6-8-24(9-7-23)31-19-17-30(18-20-31)16-13-29-27(34)22-10-14-32(15-11-22)26(33)12-21-35-25-4-2-1-3-5-25/h1-9,22H,10-21H2,(H,29,34)
InChIKeyDITRYFFVFKVFFP-UHFFFAOYSA-N
XLogP2.77
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78904763
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55966112
1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 55860208
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119444991

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55885131) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is DITRYFFVFKVFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O3/c28-23-6-8-24(9-7-23)31-19-17-30(18-20-31)16-13-29-27(34)22-10-14-32(15-11-22)26(33)12-21-35-25-4-2-1-3-5-25/h1-9,22H,10-21H2,(H,29,34).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55885131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).