N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide

C21H30N2O2 — CID 97209452

IUPACN-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1COC2(CCCC2)C1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H30N2O2/c24-20(22-19-14-21(25-16-19)10-2-3-11-21)18-8-6-17(7-9-18)15-23-12-4-1-5-13-23/h6-9,19H,1-5,10-16H2,(H,22,24)/t19-/m1/s1
InChIKeyYSMRSNGHXFNYIM-LJQANCHMSA-N
MW342.48 g/mol
LogP3.50
Rot. Bonds4

About N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide

N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 97209452) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID97209452
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(N[C@H]1COC2(CCCC2)C1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H30N2O2/c24-20(22-19-14-21(25-16-19)10-2-3-11-21)18-8-6-17(7-9-18)15-23-12-4-1-5-13-23/h6-9,19H,1-5,10-16H2,(H,22,24)/t19-/m1/s1
InChIKeyYSMRSNGHXFNYIM-LJQANCHMSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-(6-oxaspiro[3.4]octan-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 167800012
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-4-(tetrazol-1-yl)benzamide
CID 124851841
N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487879
N-(1-adamantyl)-4-(piperidin-1-ylmethyl)benzamide
CID 41455586
N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
CID 77091991
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97196232
6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
CID 146475853
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
(2S,4S)-4-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]thiolane-2-carboxylic acid
CID 166284837
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide (CID 97209452) is N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide is O=C(N[C@H]1COC2(CCCC2)C1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is YSMRSNGHXFNYIM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(22-19-14-21(25-16-19)10-2-3-11-21)18-8-6-17(7-9-18)15-23-12-4-1-5-13-23/h6-9,19H,1-5,10-16H2,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide?
N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 342.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 97209452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).