[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone

C17H29N5O2 — CID 97123595

IUPAC[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
SMILESCN(C)CCn1ccnc1C1CCN(C(=O)[C@@H]2CNCCO2)CC1
InChIInChI=1S/C17H29N5O2/c1-20(2)10-11-21-9-5-19-16(21)14-3-7-22(8-4-14)17(23)15-13-18-6-12-24-15/h5,9,14-15,18H,3-4,6-8,10-13H2,1-2H3/t15-/m0/s1
InChIKeyXERRTJUEOGKHQR-HNNXBMFYSA-N
MW335.45 g/mol
LogP0.14
Rot. Bonds5

About [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone

[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone (PubChem CID 97123595) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone.

Molecular Properties

Compound Name[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
PubChem CID97123595
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
SMILESCN(C)CCn1ccnc1C1CCN(C(=O)[C@@H]2CNCCO2)CC1
InChIInChI=1S/C17H29N5O2/c1-20(2)10-11-21-9-5-19-16(21)14-3-7-22(8-4-14)17(23)15-13-18-6-12-24-15/h5,9,14-15,18H,3-4,6-8,10-13H2,1-2H3/t15-/m0/s1
InChIKeyXERRTJUEOGKHQR-HNNXBMFYSA-N
XLogP0.14
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 97284668
1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72837384
[(1S,3R)-3-aminocyclopentyl]-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72881621
1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-3-ylethanone
CID 72923445
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 72940770
(2S)-2-amino-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 72869616
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 72864352
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 72867590
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72896443
[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 119897783
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72850501
morpholin-2-yl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698790

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The IUPAC name of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone (CID 97123595) is [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone.
What is the SMILES notation for [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The canonical SMILES for [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone is CN(C)CCn1ccnc1C1CCN(C(=O)[C@@H]2CNCCO2)CC1.
What is the InChIKey of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
The InChIKey is XERRTJUEOGKHQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-20(2)10-11-21-9-5-19-16(21)14-3-7-22(8-4-14)17(23)15-13-18-6-12-24-15/h5,9,14-15,18H,3-4,6-8,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone?
[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone is sourced from PubChem (CID 97123595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).