[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone

C16H23N3O — CID 164639281

IUPAC[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3CC34CC4)CC2)[nH]c1C
InChIInChI=1S/C16H23N3O/c1-10-11(2)18-14(17-10)12-3-7-19(8-4-12)15(20)13-9-16(13)5-6-16/h12-13H,3-9H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyJLVLDZCOVNXFKU-CYBMUJFWSA-N
MW273.38 g/mol
LogP2.53
Rot. Bonds2

About [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone

[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone (PubChem CID 164639281) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone.

Molecular Properties

Compound Name[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone
PubChem CID164639281
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3CC34CC4)CC2)[nH]c1C
InChIInChI=1S/C16H23N3O/c1-10-11(2)18-14(17-10)12-3-7-19(8-4-12)15(20)13-9-16(13)5-6-16/h12-13H,3-9H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyJLVLDZCOVNXFKU-CYBMUJFWSA-N
XLogP2.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone
CID 136560403
4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide
CID 118122110
4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide;ethane
CID 160266979
4-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboximidamide;ethane;methane
CID 161225617
1-ethyl-4-(3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}propanoyl)piperazine
CID 45597086
3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]propanamide
CID 118792899
2,2-dimethyl-N-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]cyclopropanecarboxamide
CID 119070084
N-[(5-methyl-1H-imidazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 120132049
3-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one
CID 124212370
(1R)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 126444877
(1S)-2,2-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 126444878
N-({1-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]piperidin-4-yl}methyl)spiro[2.4]heptane-1-carboxamide
CID 131946452

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone?
The IUPAC name of [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone (CID 164639281) is [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone.
What is the SMILES notation for [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone?
The canonical SMILES for [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone is Cc1nc(C2CCN(C(=O)[C@H]3CC34CC4)CC2)[nH]c1C.
What is the InChIKey of [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone?
The InChIKey is JLVLDZCOVNXFKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-11(2)18-14(17-10)12-3-7-19(8-4-12)15(20)13-9-16(13)5-6-16/h12-13H,3-9H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone?
[4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone has a molecular weight of 273.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dimethyl-1H-imidazol-2-yl)piperidin-1-yl]-[(2S)-spiro[2.2]pentan-2-yl]methanone is sourced from PubChem (CID 164639281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).