N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide

C24H30N2O3 — CID 126461711

IUPACN-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)C2CCN(CC3CCOC3)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-28-21-6-4-5-20(15-21)22-7-2-3-8-23(22)25-24(27)19-9-12-26(13-10-19)16-18-11-14-29-17-18/h2-8,15,18-19H,9-14,16-17H2,1H3,(H,25,27)
InChIKeyDIUXSORGJXCLLB-UHFFFAOYSA-N
MW394.51 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide

N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 126461711) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
PubChem CID126461711
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC NameN-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)C2CCN(CC3CCOC3)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-28-21-6-4-5-20(15-21)22-7-2-3-8-23(22)25-24(27)19-9-12-26(13-10-19)16-18-11-14-29-17-18/h2-8,15,18-19H,9-14,16-17H2,1H3,(H,25,27)
InChIKeyDIUXSORGJXCLLB-UHFFFAOYSA-N
XLogP4.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 171687153
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 171686778
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
N-[2-(3-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42460267
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 171330847
N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 25367693
(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
(3S)-3-(3-methoxyphenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 97018484
(3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 124820774
N-[3-(3-methoxyphenyl)phenyl]-1-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 25309891
1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylphenyl)piperidine-4-carboxamide
CID 38095087

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide (CID 126461711) is N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide is COc1cccc(-c2ccccc2NC(=O)C2CCN(CC3CCOC3)CC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DIUXSORGJXCLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-21-6-4-5-20(15-21)22-7-2-3-8-23(22)25-24(27)19-9-12-26(13-10-19)16-18-11-14-29-17-18/h2-8,15,18-19H,9-14,16-17H2,1H3,(H,25,27).
What are the key properties of N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide?
N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 394.51 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 126461711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).