N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide

C13H26N2O2 — CID 64913722

IUPACN-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCC(C)O)CCCNC1
InChIInChI=1S/C13H26N2O2/c1-3-6-13(7-4-8-14-10-13)12(17)15-9-5-11(2)16/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyVQDAVEDFWYDYAD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.04
Rot. Bonds6

About N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide

N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide (PubChem CID 64913722) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
PubChem CID64913722
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCC(C)O)CCCNC1
InChIInChI=1S/C13H26N2O2/c1-3-6-13(7-4-8-14-10-13)12(17)15-9-5-11(2)16/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyVQDAVEDFWYDYAD-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
CID 83109256
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide
CID 106134765
N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
CID 64642823
N-(2-ethoxy-2-methylpropyl)-3-propylpiperidine-3-carboxamide
CID 114942373
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide (CID 64913722) is N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCCC(C)O)CCCNC1.
What is the InChIKey of N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is VQDAVEDFWYDYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-6-13(7-4-8-14-10-13)12(17)15-9-5-11(2)16/h11,14,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide?
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 64913722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).