2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H28N6O2 — CID 72912148

IUPAC2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nnnn1CCC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C18H28N6O2/c1-14-19-20-21-24(14)9-5-17(26)22-10-7-18(8-11-22)6-4-16(25)23(13-18)12-15-2-3-15/h15H,2-13H2,1H3
InChIKeyRLMQFJHOFFSWPZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.01
Rot. Bonds5

About 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72912148) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72912148
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nnnn1CCC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C18H28N6O2/c1-14-19-20-21-24(14)9-5-17(26)22-10-7-18(8-11-22)6-4-16(25)23(13-18)12-15-2-3-15/h15H,2-13H2,1H3
InChIKeyRLMQFJHOFFSWPZ-UHFFFAOYSA-N
XLogP1.01
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72912148) is 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nnnn1CCC(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RLMQFJHOFFSWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-14-19-20-21-24(14)9-5-17(26)22-10-7-18(8-11-22)6-4-16(25)23(13-18)12-15-2-3-15/h15H,2-13H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.46 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-[3-(5-methyltetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72912148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).