(5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

C18H28N4O — CID 97485001

IUPAC(5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCn1cncc1CN1CCC[C@@]2(CCC(=O)N2CC2CC2)CC1
InChIInChI=1S/C18H28N4O/c1-20-14-19-11-16(20)13-21-9-2-6-18(8-10-21)7-5-17(23)22(18)12-15-3-4-15/h11,14-15H,2-10,12-13H2,1H3/t18-/m1/s1
InChIKeyDJQFITRUFHTBPW-GOSISDBHSA-N
MW316.45 g/mol
LogP2.18
Rot. Bonds4

About (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

(5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97485001) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97485001
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCn1cncc1CN1CCC[C@@]2(CCC(=O)N2CC2CC2)CC1
InChIInChI=1S/C18H28N4O/c1-20-14-19-11-16(20)13-21-9-2-6-18(8-10-21)7-5-17(23)22(18)12-15-3-4-15/h11,14-15H,2-10,12-13H2,1H3/t18-/m1/s1
InChIKeyDJQFITRUFHTBPW-GOSISDBHSA-N
XLogP2.18
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,9-bis(cyclohexylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681470
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
1-benzyl-9-(cyclopropylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681152
1-(cyclohexylmethyl)-9-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155866022
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092
9-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155847690
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134070814
1-(cyclopropylmethyl)-8-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97493791
9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645106
1-(cyclopropylmethyl)-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493786

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 97485001) is (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2CC2CC2)CC1.
What is the InChIKey of (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is DJQFITRUFHTBPW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O/c1-20-14-19-11-16(20)13-21-9-2-6-18(8-10-21)7-5-17(23)22(18)12-15-3-4-15/h11,14-15H,2-10,12-13H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
(5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 316.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(cyclopropylmethyl)-9-[(3-methylimidazol-4-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97485001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).