N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide

C19H27N3O3 — CID 119305142

IUPACN-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc(CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C19H27N3O3/c23-18(22-13-17-7-3-9-25-17)15-5-1-4-14(10-15)11-21-19(24)16-6-2-8-20-12-16/h1,4-5,10,16-17,20H,2-3,6-9,11-13H2,(H,21,24)(H,22,23)
InChIKeyVJCJMPHNRBUMGS-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.21
Rot. Bonds6

About N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide

N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119305142) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119305142
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc(CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C19H27N3O3/c23-18(22-13-17-7-3-9-25-17)15-5-1-4-14(10-15)11-21-19(24)16-6-2-8-20-12-16/h1,4-5,10,16-17,20H,2-3,6-9,11-13H2,(H,21,24)(H,22,23)
InChIKeyVJCJMPHNRBUMGS-UHFFFAOYSA-N
XLogP1.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
3-amino-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119751885
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
(2S,5R)-5-(aminomethyl)-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120790023
4-methoxy-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119751909
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94816645
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94816644

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide (CID 119305142) is N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCC1CCCO1)c1cccc(CNC(=O)C2CCCNC2)c1.
What is the InChIKey of N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is VJCJMPHNRBUMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(22-13-17-7-3-9-25-17)15-5-1-4-14(10-15)11-21-19(24)16-6-2-8-20-12-16/h1,4-5,10,16-17,20H,2-3,6-9,11-13H2,(H,21,24)(H,22,23).
What are the key properties of N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119305142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).