N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide

C16H31N3O2 — CID 110911537

IUPACN-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCCCN1CCC(NC(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-2-3-8-18-9-6-15(7-10-18)17-16(21)19-11-4-14(13-20)5-12-19/h14-15,20H,2-13H2,1H3,(H,17,21)
InChIKeyHJHNCOPPNFQCIS-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds5

About N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide

N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110911537) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110911537
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCCCN1CCC(NC(=O)N2CCC(CO)CC2)CC1
InChIInChI=1S/C16H31N3O2/c1-2-3-8-18-9-6-15(7-10-18)17-16(21)19-11-4-14(13-20)5-12-19/h14-15,20H,2-13H2,1H3,(H,17,21)
InChIKeyHJHNCOPPNFQCIS-UHFFFAOYSA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895987
3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 111508115
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide
CID 79160685
N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide
CID 81257900
N-(1-butylpiperidin-4-yl)-4-hydroxypentanamide
CID 79205186

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110911537) is N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide is CCCCN1CCC(NC(=O)N2CCC(CO)CC2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is HJHNCOPPNFQCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-2-3-8-18-9-6-15(7-10-18)17-16(21)19-11-4-14(13-20)5-12-19/h14-15,20H,2-13H2,1H3,(H,17,21).
What are the key properties of N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide?
N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110911537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).