3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride

C21H34Cl2N4O — CID 119888838

IUPAC3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCC(CC(=O)NCCc1nc2ccccc2n1C(C)C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H32N4O.2ClH/c1-15(2)25-19-9-5-4-8-18(19)24-20(25)10-12-23-21(26)13-16(3)17-7-6-11-22-14-17;;/h4-5,8-9,15-17,22H,6-7,10-14H2,1-3H3,(H,23,26);2*1H
InChIKeyLMTFLFFPQRJEDM-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.15
Rot. Bonds7

About 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride

3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119888838) has the molecular formula C21H34Cl2N4O and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
PubChem CID119888838
Molecular FormulaC21H34Cl2N4O
Molecular Weight429.44 g/mol
Exact Mass428.21
IUPAC Name3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
SMILESCC(CC(=O)NCCc1nc2ccccc2n1C(C)C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C21H32N4O.2ClH/c1-15(2)25-19-9-5-4-8-18(19)24-20(25)10-12-23-21(26)13-16(3)17-7-6-11-22-14-17;;/h4-5,8-9,15-17,22H,6-7,10-14H2,1-3H3,(H,23,26);2*1H
InChIKeyLMTFLFFPQRJEDM-UHFFFAOYSA-N
XLogP4.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119888858
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119866323
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-(1-ethylbenzimidazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119678519
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]morpholine-2-carboxamide
CID 119888867
(3S)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-3-pyrrol-1-ylbutanamide
CID 95773068
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
CID 119700590
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119888187

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride (CID 119888838) is 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride is CC(CC(=O)NCCc1nc2ccccc2n1C(C)C)C1CCCNC1.Cl.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is LMTFLFFPQRJEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O.2ClH/c1-15(2)25-19-9-5-4-8-18(19)24-20(25)10-12-23-21(26)13-16(3)17-7-6-11-22-14-17;;/h4-5,8-9,15-17,22H,6-7,10-14H2,1-3H3,(H,23,26);2*1H.
What are the key properties of 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride?
3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 429.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119888838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).