N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C16H23ClN2O3 — CID 111508484

IUPACN-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(CO)CC1)Oc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O3/c1-12(22-15-4-2-3-14(17)9-15)10-18-16(21)19-7-5-13(11-20)6-8-19/h2-4,9,12-13,20H,5-8,10-11H2,1H3,(H,18,21)
InChIKeyHNXWGTDBDIAHLD-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111508484) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111508484
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(CO)CC1)Oc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O3/c1-12(22-15-4-2-3-14(17)9-15)10-18-16(21)19-7-5-13(11-20)6-8-19/h2-4,9,12-13,20H,5-8,10-11H2,1H3,(H,18,21)
InChIKeyHNXWGTDBDIAHLD-UHFFFAOYSA-N
XLogP2.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenoxy)propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111509002
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
N-[2-(2,6-dichlorophenyl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110922372
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
CID 62228542
1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122004010
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110356943
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896259
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
N-[2-(3-chlorophenoxy)propyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111516528
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
CID 119336972

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 111508484) is N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide is CC(CNC(=O)N1CCC(CO)CC1)Oc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is HNXWGTDBDIAHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-12(22-15-4-2-3-14(17)9-15)10-18-16(21)19-7-5-13(11-20)6-8-19/h2-4,9,12-13,20H,5-8,10-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 326.82 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111508484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).