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

C16H31N3O2 — CID 99108800

IUPAC(3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)N1CCCC[C@H]1CNC(=O)N1CC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)19-8-5-4-6-15(19)10-17-16(21)18-9-7-14(11-18)13(3)20/h12-15,20H,4-11H2,1-3H3,(H,17,21)/t13-,14+,15-/m0/s1
InChIKeyJVMIJQFUEURCEO-ZNMIVQPWSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds4

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

(3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 99108800) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID99108800
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)N1CCCC[C@H]1CNC(=O)N1CC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)19-8-5-4-6-15(19)10-17-16(21)18-9-7-14(11-18)13(3)20/h12-15,20H,4-11H2,1-3H3,(H,17,21)/t13-,14+,15-/m0/s1
InChIKeyJVMIJQFUEURCEO-ZNMIVQPWSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3S)-3-[(1S)-1-hydroxyethyl]-N-(5-methylhexyl)pyrrolidine-1-carboxamide
CID 97351621
N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 131914565
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788732
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567485
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]cyclopentanecarboxamide
CID 115966177
(3S)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777392
(3R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777395
formic acid;N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 154909886
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]pentanedioic acid
CID 103942887

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide (CID 99108800) is (3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide is CC(C)N1CCCC[C@H]1CNC(=O)N1CC[C@@H]([C@H](C)O)C1.
What is the InChIKey of (3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is JVMIJQFUEURCEO-ZNMIVQPWSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(2)19-8-5-4-6-15(19)10-17-16(21)18-9-7-14(11-18)13(3)20/h12-15,20H,4-11H2,1-3H3,(H,17,21)/t13-,14+,15-/m0/s1.
What are the key properties of (3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide?
(3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99108800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).