1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide

C19H29N3O — CID 134070803

IUPAC1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCCCCCN1CCCC12CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C19H29N3O/c1-2-3-7-13-22-14-8-11-19(22)12-15-21(16-19)18(23)20-17-9-5-4-6-10-17/h4-6,9-10H,2-3,7-8,11-16H2,1H3,(H,20,23)
InChIKeyAXCFOZRBJODNQP-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.95
Rot. Bonds5

About 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide

1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 134070803) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID134070803
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCCCCCN1CCCC12CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C19H29N3O/c1-2-3-7-13-22-14-8-11-19(22)12-15-21(16-19)18(23)20-17-9-5-4-6-10-17/h4-6,9-10H,2-3,7-8,11-16H2,1H3,(H,20,23)
InChIKeyAXCFOZRBJODNQP-UHFFFAOYSA-N
XLogP3.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 134070879
6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131645592
(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 97481852
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(3-methoxyphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 131661531
N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131655098
4-heptan-2-yl-N-phenylpiperazine-1-carboxamide
CID 110174858
6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
CID 134076388
(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3234504
4-heptadecan-2-yl-N-phenylpiperazine-1-carboxamide
CID 110174868
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide (CID 134070803) is 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide is CCCCCN1CCCC12CCN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is AXCFOZRBJODNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-3-7-13-22-14-8-11-19(22)12-15-21(16-19)18(23)20-17-9-5-4-6-10-17/h4-6,9-10H,2-3,7-8,11-16H2,1H3,(H,20,23).
What are the key properties of 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide?
1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-N-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 134070803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).