N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride

C12H25ClN2O3 — CID 119783577

IUPACN-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCCC(O)CNC(=O)C1(OC)CCNCC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-3-4-10(15)9-14-11(16)12(17-2)5-7-13-8-6-12;/h10,13,15H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyNILZPTPTFDRKOY-UHFFFAOYSA-N
MW280.80 g/mol
LogP0.45
Rot. Bonds6

About N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride

N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119783577) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119783577
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC NameN-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCCCC(O)CNC(=O)C1(OC)CCNCC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-3-4-10(15)9-14-11(16)12(17-2)5-7-13-8-6-12;/h10,13,15H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyNILZPTPTFDRKOY-UHFFFAOYSA-N
XLogP0.45
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119783577) is N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride is CCCC(O)CNC(=O)C1(OC)CCNCC1.Cl.
What is the InChIKey of N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is NILZPTPTFDRKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-3-4-10(15)9-14-11(16)12(17-2)5-7-13-8-6-12;/h10,13,15H,3-9H2,1-2H3,(H,14,16);1H.
What are the key properties of N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119783577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).