N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide

C19H26N2O2 — CID 167800012

IUPACN-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(NC1CC2(CCOC2)C1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H26N2O2/c22-18(20-17-11-19(12-17)7-10-23-14-19)16-5-3-15(4-6-16)13-21-8-1-2-9-21/h3-6,17H,1-2,7-14H2,(H,20,22)
InChIKeyZJOMBKRPEPQCKH-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.58
Rot. Bonds4

About N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide

N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 167800012) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID167800012
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(NC1CC2(CCOC2)C1)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H26N2O2/c22-18(20-17-11-19(12-17)7-10-23-14-19)16-5-3-15(4-6-16)13-21-8-1-2-9-21/h3-6,17H,1-2,7-14H2,(H,20,22)
InChIKeyZJOMBKRPEPQCKH-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97209452
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
(2S,4S)-4-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]thiolane-2-carboxylic acid
CID 166284837
N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide
CID 41455586
3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64894153
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 133268403
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97196232
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 98112476
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
4-(azepan-1-ylmethyl)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133161396

Frequently Asked Questions

What is the IUPAC name of N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide (CID 167800012) is N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide is O=C(NC1CC2(CCOC2)C1)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is ZJOMBKRPEPQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(20-17-11-19(12-17)7-10-23-14-19)16-5-3-15(4-6-16)13-21-8-1-2-9-21/h3-6,17H,1-2,7-14H2,(H,20,22).
What are the key properties of N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide?
N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 314.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 167800012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).