3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide

C22H32N2O2 — CID 91840176

IUPAC3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)CCN3C[C@@H]4CC[C@H]3C4)CCCC2)cc1
InChIInChI=1S/C22H32N2O2/c1-26-20-8-5-18(6-9-20)22(11-2-3-12-22)16-23-21(25)10-13-24-15-17-4-7-19(24)14-17/h5-6,8-9,17,19H,2-4,7,10-16H2,1H3,(H,23,25)/t17-,19+/m1/s1
InChIKeySCOBHCPLUPWIHI-MJGOQNOKSA-N
MW356.51 g/mol
LogP3.50
Rot. Bonds7

About 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide

3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide (PubChem CID 91840176) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
PubChem CID91840176
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)CCN3C[C@@H]4CC[C@H]3C4)CCCC2)cc1
InChIInChI=1S/C22H32N2O2/c1-26-20-8-5-18(6-9-20)22(11-2-3-12-22)16-23-21(25)10-13-24-15-17-4-7-19(24)14-17/h5-6,8-9,17,19H,2-4,7,10-16H2,1H3,(H,23,25)/t17-,19+/m1/s1
InChIKeySCOBHCPLUPWIHI-MJGOQNOKSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
CID 74232996
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 135113473
tert-butyl N-[4-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-4-oxobutyl]carbamate
CID 60587048
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 60573525
3-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methyl-1-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]urea
CID 126451957
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]cyclohex-3-ene-1-carboxamide
CID 71796620
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
1-(2-methoxyethyl)-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-oxopiperidine-3-carboxamide
CID 45239522

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide?
The IUPAC name of 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide (CID 91840176) is 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide is COc1ccc(C2(CNC(=O)CCN3C[C@@H]4CC[C@H]3C4)CCCC2)cc1.
What is the InChIKey of 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide?
The InChIKey is SCOBHCPLUPWIHI-MJGOQNOKSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-26-20-8-5-18(6-9-20)22(11-2-3-12-22)16-23-21(25)10-13-24-15-17-4-7-19(24)14-17/h5-6,8-9,17,19H,2-4,7,10-16H2,1H3,(H,23,25)/t17-,19+/m1/s1.
What are the key properties of 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide?
3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide has a molecular weight of 356.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 91840176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).