1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide

C21H30N2O3 — CID 47043917

IUPAC1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)C2CCCN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C21H30N2O3/c1-15(2)26-14-17-6-3-5-16(11-17)12-22-20(24)19-7-4-10-23(13-19)21(25)18-8-9-18/h3,5-6,11,15,18-19H,4,7-10,12-14H2,1-2H3,(H,22,24)
InChIKeyUYIMIKLNIMQQPM-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.88
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 47043917) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID47043917
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)C2CCCN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C21H30N2O3/c1-15(2)26-14-17-6-3-5-16(11-17)12-22-20(24)19-7-4-10-23(13-19)21(25)18-8-9-18/h3,5-6,11,15,18-19H,4,7-10,12-14H2,1-2H3,(H,22,24)
InChIKeyUYIMIKLNIMQQPM-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide
CID 47058350
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531
(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 51937811
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 94817629
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 34591979
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95345541
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
1-benzoyl-N-[[3-[(dimethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 136524441
propan-2-yl 2,4-dimethyl-5-[(3R)-3-[(3-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 97043623

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide (CID 47043917) is 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide is CC(C)OCc1cccc(CNC(=O)C2CCCN(C(=O)C3CC3)C2)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is UYIMIKLNIMQQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(2)26-14-17-6-3-5-16(11-17)12-22-20(24)19-7-4-10-23(13-19)21(25)18-8-9-18/h3,5-6,11,15,18-19H,4,7-10,12-14H2,1-2H3,(H,22,24).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 47043917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).