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

C16H21ClN2O2 — CID 108564353

IUPAC2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H21ClN2O2/c1-12(17)16(21)18-14-7-9-19(10-8-14)15(20)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,18,21)
InChIKeyDNSPLTSSDYOPLN-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.96
Rot. Bonds4

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

2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide (PubChem CID 108564353) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
PubChem CID108564353
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
SMILESCC(Cl)C(=O)NC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H21ClN2O2/c1-12(17)16(21)18-14-7-9-19(10-8-14)15(20)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,18,21)
InChIKeyDNSPLTSSDYOPLN-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.96
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

N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
4-oxo-N-[1-(2-phenylacetyl)piperidin-4-yl]pentanamide
CID 108558031
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
2-chloro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108564395
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
2,2-dichloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108565559

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide (CID 108564353) is 2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide is CC(Cl)C(=O)NC1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide?
The InChIKey is DNSPLTSSDYOPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-12(17)16(21)18-14-7-9-19(10-8-14)15(20)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide?
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide has a molecular weight of 308.81 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108564353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).