(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride

C17H25ClN4O — CID 120873998

IUPAC(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)N)CC1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-3-16-19-14-6-4-5-7-15(14)21(16)13-8-10-20(11-9-13)17(22)12(2)18;/h4-7,12-13H,3,8-11,18H2,1-2H3;1H/t12-;/m1./s1
InChIKeyYKZHBELZEZJBBA-UTONKHPSSA-N
MW336.87 g/mol
LogP2.53
Rot. Bonds3

About (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride

(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 120873998) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID120873998
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)N)CC1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-3-16-19-14-6-4-5-7-15(14)21(16)13-8-10-20(11-9-13)17(22)12(2)18;/h4-7,12-13H,3,8-11,18H2,1-2H3;1H/t12-;/m1./s1
InChIKeyYKZHBELZEZJBBA-UTONKHPSSA-N
XLogP2.53
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 136520142
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120641164
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 75399301
(2S)-1-[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one
CID 92772684
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778417
2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]quinoline
CID 133445520
(3R)-1-[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 92772347
2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
CID 127733592
2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole
CID 133445454
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-2-ethylbenzimidazole
CID 133445355
4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 133445384

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride (CID 120873998) is (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride is CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)N)CC1.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is YKZHBELZEZJBBA-UTONKHPSSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-3-16-19-14-6-4-5-7-15(14)21(16)13-8-10-20(11-9-13)17(22)12(2)18;/h4-7,12-13H,3,8-11,18H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride?
(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120873998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).