3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

C15H18ClFN2O2 — CID 108563637

IUPAC3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESO=C(CCCl)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H18ClFN2O2/c16-8-5-14(20)18-11-6-9-19(10-7-11)15(21)12-3-1-2-4-13(12)17/h1-4,11H,5-10H2,(H,18,20)
InChIKeyUTNXWZMWVNUECA-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.18
Rot. Bonds4

About 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (PubChem CID 108563637) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
PubChem CID108563637
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
SMILESO=C(CCCl)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H18ClFN2O2/c16-8-5-14(20)18-11-6-9-19(10-7-11)15(21)12-3-1-2-4-13(12)17/h1-4,11H,5-10H2,(H,18,20)
InChIKeyUTNXWZMWVNUECA-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide
CID 127366432
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 47056458
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide
CID 108563967
2-bromo-5-fluoro-N-[3-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 55839305
4-(2,3-dihydro-1H-inden-5-yl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-oxobutanamide
CID 55710907
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide (CID 108563637) is 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is O=C(CCCl)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
The InChIKey is UTNXWZMWVNUECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c16-8-5-14(20)18-11-6-9-19(10-7-11)15(21)12-3-1-2-4-13(12)17/h1-4,11H,5-10H2,(H,18,20).
What are the key properties of 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide?
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide has a molecular weight of 312.77 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108563637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).