N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide

C17H23ClN2O2 — CID 108561867

IUPACN-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C17H23ClN2O2/c18-11-8-17(22)20-12-9-15(10-13-20)19-16(21)7-6-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,19,21)
InChIKeyRNVQQSOLECVSSY-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.36
Rot. Bonds6

About N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide

N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 108561867) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID108561867
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)CCCl)CC1
InChIInChI=1S/C17H23ClN2O2/c18-11-8-17(22)20-12-9-15(10-13-20)19-16(21)7-6-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,19,21)
InChIKeyRNVQQSOLECVSSY-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.36
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

2-chloroethyl N-[1-(3-phenylpropanoyl)piperidin-4-yl]carbamate
CID 108566100
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559770
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46456295
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
(2S)-1-[2-oxo-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]ethyl]pyrrolidine-2-carboxylic acid
CID 119910785
N-[1-[2-(4-iodophenoxy)acetyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692445
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide (CID 108561867) is N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(C(=O)CCCl)CC1.
What is the InChIKey of N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is RNVQQSOLECVSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-11-8-17(22)20-12-9-15(10-13-20)19-16(21)7-6-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,19,21).
What are the key properties of N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide?
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 322.84 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 108561867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).