8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one

C19H31N5O — CID 97397068

IUPAC8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1ccnc1CN1CCC2(CCC(=O)N2CCN2CCCC2)CC1
InChIInChI=1S/C19H31N5O/c1-21-13-8-20-17(21)16-23-11-6-19(7-12-23)5-4-18(25)24(19)15-14-22-9-2-3-10-22/h8,13H,2-7,9-12,14-16H2,1H3
InChIKeyPWEGFAWYEKXESR-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.47
Rot. Bonds5

About 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one

8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97397068) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97397068
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1ccnc1CN1CCC2(CCC(=O)N2CCN2CCCC2)CC1
InChIInChI=1S/C19H31N5O/c1-21-13-8-20-17(21)16-23-11-6-19(7-12-23)5-4-18(25)24(19)15-14-22-9-2-3-10-22/h8,13H,2-7,9-12,14-16H2,1H3
InChIKeyPWEGFAWYEKXESR-UHFFFAOYSA-N
XLogP1.47
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97397068) is 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one is Cn1ccnc1CN1CCC2(CCC(=O)N2CCN2CCCC2)CC1.
What is the InChIKey of 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PWEGFAWYEKXESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-21-13-8-20-17(21)16-23-11-6-19(7-12-23)5-4-18(25)24(19)15-14-22-9-2-3-10-22/h8,13H,2-7,9-12,14-16H2,1H3.
What are the key properties of 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one?
8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 345.49 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).