4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

C15H27N3O3 — CID 43589568

IUPAC4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCCC(CO)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-16(2)15(21)17-8-5-13(6-9-17)14(20)18-7-3-4-12(10-18)11-19/h12-13,19H,3-11H2,1-2H3
InChIKeyWRSIGNIMJQECRE-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.61
Rot. Bonds2

About 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 43589568) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID43589568
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCCC(CO)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-16(2)15(21)17-8-5-13(6-9-17)14(20)18-7-3-4-12(10-18)11-19/h12-13,19H,3-11H2,1-2H3
InChIKeyWRSIGNIMJQECRE-UHFFFAOYSA-N
XLogP0.61
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
4-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 70718118
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
cyclopent-3-en-1-yl-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129371278
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (CID 43589568) is 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)N2CCCC(CO)C2)CC1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is WRSIGNIMJQECRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16(2)15(21)17-8-5-13(6-9-17)14(20)18-7-3-4-12(10-18)11-19/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 43589568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).