2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide

C16H31N3O2 — CID 111427923

IUPAC2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(CCCCNC(=O)N2CCCC2CO)CC1
InChIInChI=1S/C16H31N3O2/c1-14-6-11-18(12-7-14)9-3-2-8-17-16(21)19-10-4-5-15(19)13-20/h14-15,20H,2-13H2,1H3,(H,17,21)
InChIKeyHBPVOODYYCEJGL-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds6

About 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide (PubChem CID 111427923) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide
PubChem CID111427923
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide
SMILESCC1CCN(CCCCNC(=O)N2CCCC2CO)CC1
InChIInChI=1S/C16H31N3O2/c1-14-6-11-18(12-7-14)9-3-2-8-17-16(21)19-10-4-5-15(19)13-20/h14-15,20H,2-13H2,1H3,(H,17,21)
InChIKeyHBPVOODYYCEJGL-UHFFFAOYSA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111427784
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428245
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl N-(5-pyrrolidin-1-ylpentyl)carbamate
CID 18789458
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
CID 111428047
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
4-(4-methylazepan-1-yl)butan-1-ol
CID 63214962

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide (CID 111427923) is 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide is CC1CCN(CCCCNC(=O)N2CCCC2CO)CC1.
What is the InChIKey of 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide?
The InChIKey is HBPVOODYYCEJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14-6-11-18(12-7-14)9-3-2-8-17-16(21)19-10-4-5-15(19)13-20/h14-15,20H,2-13H2,1H3,(H,17,21).
What are the key properties of 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).