N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide

C19H27FN4O3 — CID 119480053

IUPACN-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN4O3/c20-16-7-5-14(6-8-16)18(26)22-10-1-4-17(25)24-12-2-3-15(13-24)19(27)23-11-9-21/h5-8,15H,1-4,9-13,21H2,(H,22,26)(H,23,27)
InChIKeyDTERBUKACIDOKD-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.65
Rot. Bonds8

About N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide (PubChem CID 119480053) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
PubChem CID119480053
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC NameN-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN4O3/c20-16-7-5-14(6-8-16)18(26)22-10-1-4-17(25)24-12-2-3-15(13-24)19(27)23-11-9-21/h5-8,15H,1-4,9-13,21H2,(H,22,26)(H,23,27)
InChIKeyDTERBUKACIDOKD-UHFFFAOYSA-N
XLogP0.65
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479231
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97198544
N-[4-[3-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119593706
N-(2-aminoethyl)-1-[3-(2-fluorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480114
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
N-(2-aminoethyl)-1-[3-(2-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 119480930
N-(2-aminoethyl)-1-[2-(2,6-difluorophenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482040
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide (CID 119480053) is N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide?
The InChIKey is DTERBUKACIDOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c20-16-7-5-14(6-8-16)18(26)22-10-1-4-17(25)24-12-2-3-15(13-24)19(27)23-11-9-21/h5-8,15H,1-4,9-13,21H2,(H,22,26)(H,23,27).
What are the key properties of N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).