N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide

C21H34N4O — CID 131946452

IUPACN-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3CC34CCCC4)CC2)n(C)c1C
InChIInChI=1S/C21H34N4O/c1-15-16(2)24(3)19(23-15)14-25-10-6-17(7-11-25)13-22-20(26)18-12-21(18)8-4-5-9-21/h17-18H,4-14H2,1-3H3,(H,22,26)
InChIKeyKQAQVNQEWMHUDW-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.95
Rot. Bonds5

About N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide

N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide (PubChem CID 131946452) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide
PubChem CID131946452
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)C3CC34CCCC4)CC2)n(C)c1C
InChIInChI=1S/C21H34N4O/c1-15-16(2)24(3)19(23-15)14-25-10-6-17(7-11-25)13-22-20(26)18-12-21(18)8-4-5-9-21/h17-18H,4-14H2,1-3H3,(H,22,26)
InChIKeyKQAQVNQEWMHUDW-UHFFFAOYSA-N
XLogP2.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone
CID 164639281
(3S)-1-[(2S)-1-[4-[(1-cyclopropyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685470
(3S)-1-[1-[4-[(1-cyclopropyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685475
(3S)-1-[(2S)-1-[4-[[1-(cyclopropylmethyl)-4,5-dimethylimidazol-2-yl]methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685629
(3S)-1-[1-[4-[[1-(cyclopropylmethyl)-4,5-dimethylimidazol-2-yl]methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685632
(2S)-1-[4-[[1-(cyclopropylmethyl)-4,5-dimethylimidazol-2-yl]methyl]piperidin-1-yl]-4-methyl-2-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 167156656
1-[2-[4-[[1-(Cyclopropylmethyl)-4,5-dimethylimidazol-2-yl]methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
CID 172611645
2-[2-[[2-[4-[(1-Cyclopropyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-methylamino]ethylamino]-4-methylpentanal;2-methylpropane
CID 172611664
1-(cyclopentylcarbonyl)-N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 90653661
N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 91839266
N~1~,N~1~-dimethyl-N~4~-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 91839376
3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]propanamide
CID 118792899

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide (CID 131946452) is N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide is Cc1nc(CN2CCC(CNC(=O)C3CC34CCCC4)CC2)n(C)c1C.
What is the InChIKey of N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide?
The InChIKey is KQAQVNQEWMHUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-15-16(2)24(3)19(23-15)14-25-10-6-17(7-11-25)13-22-20(26)18-12-21(18)8-4-5-9-21/h17-18H,4-14H2,1-3H3,(H,22,26).
What are the key properties of N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide?
N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-4-yl]methyl]spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 131946452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).