(3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide

C21H33N3O3 — CID 51950150

IUPAC(3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C21H33N3O3/c1-14(2)22-21(26)24-11-7-9-18(13-24)20(25)23-16(5)17-8-6-10-19(12-17)27-15(3)4/h6,8,10,12,14-16,18H,7,9,11,13H2,1-5H3,(H,22,26)(H,23,25)/t16-,18+/m0/s1
InChIKeyOGHJSEPSEUFKPG-FUHWJXTLSA-N
MW375.51 g/mol
LogP3.48
Rot. Bonds6

About (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide

(3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 51950150) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID51950150
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C21H33N3O3/c1-14(2)22-21(26)24-11-7-9-18(13-24)20(25)23-16(5)17-8-6-10-19(12-17)27-15(3)4/h6,8,10,12,14-16,18H,7,9,11,13H2,1-5H3,(H,22,26)(H,23,25)/t16-,18+/m0/s1
InChIKeyOGHJSEPSEUFKPG-FUHWJXTLSA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3R)-1-N-propan-2-yl-3-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 51950152
(3S)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-3-carboxamide
CID 81119800
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896259
(2S,4S)-2-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622085
N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87006691
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 26406225
N-ethyl-3-(3-propan-2-yloxybenzoyl)piperidine-1-carboxamide
CID 45250289
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103394
1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 51950120
N-[1-(3-bromophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55577882

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide (CID 51950150) is (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide is CC(C)NC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)C1.
What is the InChIKey of (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is OGHJSEPSEUFKPG-FUHWJXTLSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-14(2)22-21(26)24-11-7-9-18(13-24)20(25)23-16(5)17-8-6-10-19(12-17)27-15(3)4/h6,8,10,12,14-16,18H,7,9,11,13H2,1-5H3,(H,22,26)(H,23,25)/t16-,18+/m0/s1.
What are the key properties of (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide?
(3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51950150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).