3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide

C15H29N3O2 — CID 111508115

IUPAC3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCCCN1CCC(NC(=O)N2CCCC(CO)C2)CC1
InChIInChI=1S/C15H29N3O2/c1-2-7-17-9-5-14(6-10-17)16-15(20)18-8-3-4-13(11-18)12-19/h13-14,19H,2-12H2,1H3,(H,16,20)
InChIKeyWDLBIMIZBPLNPR-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.27
Rot. Bonds4

About 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide (PubChem CID 111508115) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
PubChem CID111508115
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCCCN1CCC(NC(=O)N2CCCC(CO)C2)CC1
InChIInChI=1S/C15H29N3O2/c1-2-7-17-9-5-14(6-10-17)16-15(20)18-8-3-4-13(11-18)12-19/h13-14,19H,2-12H2,1H3,(H,16,20)
InChIKeyWDLBIMIZBPLNPR-UHFFFAOYSA-N
XLogP1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydro-4-hydroxy-6-isopropyl-5,5-dimethyl-1H-pyrimidin-2-one
CID 85676
3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 110311485
Ethyl 4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]piperidine-1-carboxylate
CID 172436582
3-(hydroxymethyl)-N-[3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboxamide
CID 172436909
3-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75506486
(3S,5S)-N-cyclohexyl-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 164639042
3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 86817563
(3S)-3-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830994
(3S)-3-(hydroxymethyl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830995
(3R)-3-(hydroxymethyl)-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830997
(3R)-3-(hydroxymethyl)-N-[(2R)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]piperidine-1-carboxamide
CID 97830998
(3S)-3-(hydroxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 99823285

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide (CID 111508115) is 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide is CCCN1CCC(NC(=O)N2CCCC(CO)C2)CC1.
What is the InChIKey of 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide?
The InChIKey is WDLBIMIZBPLNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-7-17-9-5-14(6-10-17)16-15(20)18-8-3-4-13(11-18)12-19/h13-14,19H,2-12H2,1H3,(H,16,20).
What are the key properties of 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111508115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).