N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide

C15H21ClN2O2 — CID 111750178

IUPACN-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(CO)C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c16-13-3-5-14(6-4-13)17-15(20)7-9-18-8-1-2-12(10-18)11-19/h3-6,12,19H,1-2,7-11H2,(H,17,20)
InChIKeyGPFNVWCVICLKIY-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.37
Rot. Bonds5

About N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide

N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 111750178) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID111750178
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC(CO)C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c16-13-3-5-14(6-4-13)17-15(20)7-9-18-8-1-2-12(10-18)11-19/h3-6,12,19H,1-2,7-11H2,(H,17,20)
InChIKeyGPFNVWCVICLKIY-UHFFFAOYSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
ethyl (3R)-1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 740099
N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964909
3-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 62324485
N-(2,6-dichlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62372087
1-[3-(4-chloroanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 122099678
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide (CID 111750178) is N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide is O=C(CCN1CCCC(CO)C1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is GPFNVWCVICLKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-13-3-5-14(6-4-13)17-15(20)7-9-18-8-1-2-12(10-18)11-19/h3-6,12,19H,1-2,7-11H2,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 111750178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).