2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide

C26H34N4O2 — CID 131668676

IUPAC2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1CN(CC2CC2)CC2(CCN(Cc3ccccc3)C2)O1
InChIInChI=1S/C26H34N4O2/c1-28(17-23-9-5-6-13-27-23)25(31)24-18-30(16-22-10-11-22)20-26(32-24)12-14-29(19-26)15-21-7-3-2-4-8-21/h2-9,13,22,24H,10-12,14-20H2,1H3
InChIKeyWCSXLRUODRQFBH-UHFFFAOYSA-N
MW434.58 g/mol
LogP2.80
Rot. Bonds7

About 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide

2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 131668676) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide
PubChem CID131668676
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1CN(CC2CC2)CC2(CCN(Cc3ccccc3)C2)O1
InChIInChI=1S/C26H34N4O2/c1-28(17-23-9-5-6-13-27-23)25(31)24-18-30(16-22-10-11-22)20-26(32-24)12-14-29(19-26)15-21-7-3-2-4-8-21/h2-9,13,22,24H,10-12,14-20H2,1H3
InChIKeyWCSXLRUODRQFBH-UHFFFAOYSA-N
XLogP2.80
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide
CID 131669480
(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388672
(2S,3aR,6aR)-4-(furan-3-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 124820150
9-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849125
9-(cyclopentylmethyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 155879147
2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 134072548
(3S)-4-benzyl-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
CID 97061432
(3aS,7aR)-6-[2-(1-hydroxycyclobutyl)acetyl]-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131683406
(2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439483
(2R,3S)-N-methyl-5-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493081
2-[8-[methyl(pyridin-2-ylmethyl)carbamoyl]-3-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 131654464
(5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491661

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide (CID 131668676) is 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide is CN(Cc1ccccn1)C(=O)C1CN(CC2CC2)CC2(CCN(Cc3ccccc3)C2)O1.
What is the InChIKey of 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is WCSXLRUODRQFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-28(17-23-9-5-6-13-27-23)25(31)24-18-30(16-22-10-11-22)20-26(32-24)12-14-29(19-26)15-21-7-3-2-4-8-21/h2-9,13,22,24H,10-12,14-20H2,1H3.
What are the key properties of 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide?
2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 131668676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).