(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide

C16H31N3O2 — CID 99970481

IUPAC(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)N2CCC[C@@H](CO)C2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)18-7-3-5-14(10-18)9-17-16(21)19-8-4-6-15(11-19)12-20/h13-15,20H,3-12H2,1-2H3,(H,17,21)/t14-,15+/m0/s1
InChIKeyKSRWUNFBCHPBGZ-LSDHHAIUSA-N
MW297.44 g/mol
LogP1.52
Rot. Bonds4

About (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide (PubChem CID 99970481) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
PubChem CID99970481
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCC(C)N1CCC[C@@H](CNC(=O)N2CCC[C@@H](CO)C2)C1
InChIInChI=1S/C16H31N3O2/c1-13(2)18-7-3-5-14(10-18)9-17-16(21)19-8-4-6-15(11-19)12-20/h13-15,20H,3-12H2,1-2H3,(H,17,21)/t14-,15+/m0/s1
InChIKeyKSRWUNFBCHPBGZ-LSDHHAIUSA-N
XLogP1.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
(3S)-1-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81118903
3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 127287267
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
CID 121494905
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
1-[2-(hydroxymethyl)cyclohexyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 111630932
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958
3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 111443830

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide (CID 99970481) is (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide is CC(C)N1CCC[C@@H](CNC(=O)N2CCC[C@@H](CO)C2)C1.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide?
The InChIKey is KSRWUNFBCHPBGZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)18-7-3-5-14(10-18)9-17-16(21)19-8-4-6-15(11-19)12-20/h13-15,20H,3-12H2,1-2H3,(H,17,21)/t14-,15+/m0/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 99970481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).