(1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide

C20H28N2O2 — CID 167859108

IUPAC(1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc2)C1
InChIInChI=1S/C20H28N2O2/c1-14-4-2-10-22(12-14)13-15-6-8-16(9-7-15)21-20(23)18-17-5-3-11-24-19(17)18/h6-9,14,17-19H,2-5,10-13H2,1H3,(H,21,23)/t14?,17-,18-,19-/m1/s1
InChIKeyRTKKYGOFHVRFSH-LEWXTWDNSA-N
MW328.46 g/mol
LogP3.28
Rot. Bonds4

About (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide

(1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 167859108) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
PubChem CID167859108
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc2)C1
InChIInChI=1S/C20H28N2O2/c1-14-4-2-10-22(12-14)13-15-6-8-16(9-7-15)21-20(23)18-17-5-3-11-24-19(17)18/h6-9,14,17-19H,2-5,10-13H2,1H3,(H,21,23)/t14?,17-,18-,19-/m1/s1
InChIKeyRTKKYGOFHVRFSH-LEWXTWDNSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 55714823
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide
CID 51953570
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
(2S)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94885506
4-(aminomethyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]oxane-4-carboxamide;dihydrochloride
CID 120938867
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119845028
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide (CID 167859108) is (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide is CC1CCCN(Cc2ccc(NC(=O)[C@@H]3[C@H]4CCCO[C@H]43)cc2)C1.
What is the InChIKey of (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is RTKKYGOFHVRFSH-LEWXTWDNSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-4-2-10-22(12-14)13-15-6-8-16(9-7-15)21-20(23)18-17-5-3-11-24-19(17)18/h6-9,14,17-19H,2-5,10-13H2,1H3,(H,21,23)/t14?,17-,18-,19-/m1/s1.
What are the key properties of (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide?
(1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-oxabicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 167859108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).