[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone

C20H35N5O — CID 72940770

IUPAC[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCN(C)CCCn1ccnc1C1CCN(C(=O)C2CCCN(C)C2)CC1
InChIInChI=1S/C20H35N5O/c1-22(2)10-5-12-24-15-9-21-19(24)17-7-13-25(14-8-17)20(26)18-6-4-11-23(3)16-18/h9,15,17-18H,4-8,10-14,16H2,1-3H3
InChIKeyXCAYQHOPAMBOGX-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.88
Rot. Bonds6

About [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone

[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone (PubChem CID 72940770) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
PubChem CID72940770
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
SMILESCN(C)CCCn1ccnc1C1CCN(C(=O)C2CCCN(C)C2)CC1
InChIInChI=1S/C20H35N5O/c1-22(2)10-5-12-24-15-9-21-19(24)17-7-13-25(14-8-17)20(26)18-6-4-11-23(3)16-18/h9,15,17-18H,4-8,10-14,16H2,1-3H3
InChIKeyXCAYQHOPAMBOGX-UHFFFAOYSA-N
XLogP1.88
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R)-3-aminocyclopentyl]-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72881621
[(3R)-1-methylpiperidin-3-yl]-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97122863
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 72879685
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97196287
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318
2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97285199
1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 97274758
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72874438
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 97271614
1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72837384
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 72937065
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72896443

Frequently Asked Questions

What is the IUPAC name of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
The IUPAC name of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone (CID 72940770) is [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
The canonical SMILES for [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone is CN(C)CCCn1ccnc1C1CCN(C(=O)C2CCCN(C)C2)CC1.
What is the InChIKey of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
The InChIKey is XCAYQHOPAMBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-22(2)10-5-12-24-15-9-21-19(24)17-7-13-25(14-8-17)20(26)18-6-4-11-23(3)16-18/h9,15,17-18H,4-8,10-14,16H2,1-3H3.
What are the key properties of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone?
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone has a molecular weight of 361.53 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 72940770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).