2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H32N4O — CID 70707169

IUPAC2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCCN1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C20H32N4O/c1-17-21-9-14-23(17)11-2-10-22-12-7-20(8-13-22)6-5-19(25)24(16-20)15-18-3-4-18/h9,14,18H,2-8,10-13,15-16H2,1H3
InChIKeyDSTKNIVHULNUQR-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.70
Rot. Bonds6

About 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70707169) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70707169
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCCN1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C20H32N4O/c1-17-21-9-14-23(17)11-2-10-22-12-7-20(8-13-22)6-5-19(25)24(16-20)15-18-3-4-18/h9,14,18H,2-8,10-13,15-16H2,1H3
InChIKeyDSTKNIVHULNUQR-UHFFFAOYSA-N
XLogP2.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70707169) is 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nccn1CCCN1CCC2(CCC(=O)N(CC3CC3)C2)CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DSTKNIVHULNUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-17-21-9-14-23(17)11-2-10-22-12-7-20(8-13-22)6-5-19(25)24(16-20)15-18-3-4-18/h9,14,18H,2-8,10-13,15-16H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70707169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).