[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone

C22H29N5O — CID 72892075

IUPAC[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCN(C)CCCn1ccnc1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C22H29N5O/c1-25(2)11-3-12-26-15-10-24-21(26)18-7-13-27(14-8-18)22(28)19-5-4-17-6-9-23-20(17)16-19/h4-6,9-10,15-16,18,23H,3,7-8,11-14H2,1-2H3
InChIKeyHKOJMLHEUJPMDB-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.34
Rot. Bonds6

About [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone

[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 72892075) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone
PubChem CID72892075
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESCN(C)CCCn1ccnc1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C22H29N5O/c1-25(2)11-3-12-26-15-10-24-21(26)18-7-13-27(14-8-18)22(28)19-5-4-17-6-9-23-20(17)16-19/h4-6,9-10,15-16,18,23H,3,7-8,11-14H2,1-2H3
InChIKeyHKOJMLHEUJPMDB-UHFFFAOYSA-N
XLogP3.34
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540529
(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
CID 97206870
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-ethoxyphenyl)methanone
CID 72906810
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 72940770
[(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-4-ylethanone
CID 72837384
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 162748964

Frequently Asked Questions

What is the IUPAC name of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone (CID 72892075) is [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone is CN(C)CCCn1ccnc1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is HKOJMLHEUJPMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-25(2)11-3-12-26-15-10-24-21(26)18-7-13-27(14-8-18)22(28)19-5-4-17-6-9-23-20(17)16-19/h4-6,9-10,15-16,18,23H,3,7-8,11-14H2,1-2H3.
What are the key properties of [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 72892075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).