(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide

C17H30N2O3 — CID 99623012

IUPAC(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)N2CCC[C@@](C)(CO)C2)C12CCC2
InChIInChI=1S/C17H30N2O3/c1-3-22-14-10-13(17(14)7-4-8-17)18-15(21)19-9-5-6-16(2,11-19)12-20/h13-14,20H,3-12H2,1-2H3,(H,18,21)/t13-,14-,16-/m1/s1
InChIKeyUVCSCLWOPAIWRI-IIAWOOMASA-N
MW310.44 g/mol
LogP2.14
Rot. Bonds4

About (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide

(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide (PubChem CID 99623012) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
PubChem CID99623012
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)N2CCC[C@@](C)(CO)C2)C12CCC2
InChIInChI=1S/C17H30N2O3/c1-3-22-14-10-13(17(14)7-4-8-17)18-15(21)19-9-5-6-16(2,11-19)12-20/h13-14,20H,3-12H2,1-2H3,(H,18,21)/t13-,14-,16-/m1/s1
InChIKeyUVCSCLWOPAIWRI-IIAWOOMASA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-Diethyl-3-methoxy-4-methylcyclobutyl)-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
CID 91651113
N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 102553591
1-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]urea
CID 164632389
N-(3-methoxyspiro[3.3]heptan-1-yl)-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide
CID 166236609
3-(hydroxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)piperidine-1-carboxamide
CID 71867494
N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71985644
1-(3-Ethoxyspiro[3.3]heptan-1-yl)-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 71985676
N-cyclohexyl-3-(hydroxymethyl)-3-(3-methoxypropyl)-1-piperidinecarboxamide
CID 72853313
1-(Cyclopropylmethyl)-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea
CID 75375376
1-Cyclopropyl-3-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(2-hydroxyethyl)urea
CID 75375378
1-(3-Ethoxyspiro[3.3]heptan-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 75376197
4-[(3-Ethoxyspiro[3.3]heptan-1-yl)amino]piperidine-1-carboxamide
CID 75383307

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide (CID 99623012) is (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide is CCO[C@@H]1C[C@@H](NC(=O)N2CCC[C@@](C)(CO)C2)C12CCC2.
What is the InChIKey of (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is UVCSCLWOPAIWRI-IIAWOOMASA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-22-14-10-13(17(14)7-4-8-17)18-15(21)19-9-5-6-16(2,11-19)12-20/h13-14,20H,3-12H2,1-2H3,(H,18,21)/t13-,14-,16-/m1/s1.
What are the key properties of (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide?
(3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-3-(hydroxymethyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 99623012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).