13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

C16H27N3O — CID 118745551

IUPAC13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCN1CCC2(CC1)CN(CC1CC1)CC21CCNC1=O
InChIInChI=1S/C16H27N3O/c1-18-8-5-15(6-9-18)11-19(10-13-2-3-13)12-16(15)4-7-17-14(16)20/h13H,2-12H2,1H3,(H,17,20)
InChIKeyJGSPIQUSCLQKED-UHFFFAOYSA-N
MW277.41 g/mol
LogP0.93
Rot. Bonds2

About 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (PubChem CID 118745551) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.

Molecular Properties

Compound Name13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
PubChem CID118745551
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCN1CCC2(CC1)CN(CC1CC1)CC21CCNC1=O
InChIInChI=1S/C16H27N3O/c1-18-8-5-15(6-9-18)11-19(10-13-2-3-13)12-16(15)4-7-17-14(16)20/h13H,2-12H2,1H3,(H,17,20)
InChIKeyJGSPIQUSCLQKED-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 118742280
N-benzyl-13-(2-methoxyethyl)-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 134076964
(5R)-9-(4-methylphenyl)sulfonyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97415773
(5S)-9-methylsulfonyl-13-(pyridin-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360382
13-(2-methylpropyl)-9-(2-phenylacetyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 134077098
9-(4-methoxybenzoyl)-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131649897
(5R)-9-(cyclopropylmethyl)-3-methyl-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360412
ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine
CID 172630625
(5R)-13-(pyridin-3-ylmethyl)-9-(pyrrolidine-1-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360383
7-methyl-2-[(1-methylpiperidin-4-yl)methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 155067148
6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866

Frequently Asked Questions

What is the IUPAC name of 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The IUPAC name of 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (CID 118745551) is 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.
What is the SMILES notation for 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The canonical SMILES for 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is CN1CCC2(CC1)CN(CC1CC1)CC21CCNC1=O.
What is the InChIKey of 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The InChIKey is JGSPIQUSCLQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18-8-5-15(6-9-18)11-19(10-13-2-3-13)12-16(15)4-7-17-14(16)20/h13H,2-12H2,1H3,(H,17,20).
What are the key properties of 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one has a molecular weight of 277.41 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(cyclopropylmethyl)-9-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is sourced from PubChem (CID 118745551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).