N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide

C18H26N2O2 — CID 91772007

IUPACN-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
SMILESCOC[C@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-22-13-15-5-4-6-17(15)19-18(21)14-7-9-16(10-8-14)20-11-2-3-12-20/h7-10,15,17H,2-6,11-13H2,1H3,(H,19,21)/t15-,17-/m1/s1
InChIKeyOAKNICRVBCAXRF-NVXWUHKLSA-N
MW302.42 g/mol
LogP2.83
Rot. Bonds5

About N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide

N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 91772007) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID91772007
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
SMILESCOC[C@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-22-13-15-5-4-6-17(15)19-18(21)14-7-9-16(10-8-14)20-11-2-3-12-20/h7-10,15,17H,2-6,11-13H2,1H3,(H,19,21)/t15-,17-/m1/s1
InChIKeyOAKNICRVBCAXRF-NVXWUHKLSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 91761594
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
CID 110127912
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252
4-methoxy-N-[2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide
CID 74340324
N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-4-pyrrolidin-1-ylbenzamide
CID 110127780
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide (CID 91772007) is N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide is COC[C@H]1CCC[C@H]1NC(=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is OAKNICRVBCAXRF-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-13-15-5-4-6-17(15)19-18(21)14-7-9-16(10-8-14)20-11-2-3-12-20/h7-10,15,17H,2-6,11-13H2,1H3,(H,19,21)/t15-,17-/m1/s1.
What are the key properties of N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide?
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 91772007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).