(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one

C17H24N4O — CID 129393280

IUPAC(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C17H24N4O/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/t12-/m0/s1
InChIKeyBXHRHPMTANVJQC-LBPRGKRZSA-N
MW300.41 g/mol
LogP2.11
Rot. Bonds3

About (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 129393280) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
PubChem CID129393280
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
SMILESCCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C17H24N4O/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/t12-/m0/s1
InChIKeyBXHRHPMTANVJQC-LBPRGKRZSA-N
XLogP2.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120873998
1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 136520142
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 75399301
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120641164
(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 (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one (CID 129393280) is (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one is CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is BXHRHPMTANVJQC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O/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/t12-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 300.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129393280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).