cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone

C19H26N4O — CID 96513528

IUPACcyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1nc2ccccc2n1C
InChIInChI=1S/C19H26N4O/c1-13-12-23(19(24)14-7-8-14)10-9-15(13)20-11-18-21-16-5-3-4-6-17(16)22(18)2/h3-6,13-15,20H,7-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyLFJVBADRAHYJKQ-ZFWWWQNUSA-N
MW326.44 g/mol
LogP2.31
Rot. Bonds4

About cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone (PubChem CID 96513528) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone
PubChem CID96513528
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Namecyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1nc2ccccc2n1C
InChIInChI=1S/C19H26N4O/c1-13-12-23(19(24)14-7-8-14)10-9-15(13)20-11-18-21-16-5-3-4-6-17(16)22(18)2/h3-6,13-15,20H,7-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyLFJVBADRAHYJKQ-ZFWWWQNUSA-N
XLogP2.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R,4S)-4-[(2-chlorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513589
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
[(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513555
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 125113468
cyclopropyl-[(3R,4R)-3-methyl-4-[(4-propoxyphenyl)methylamino]piperidin-1-yl]methanone
CID 97027957
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
cyclopropyl-[(3R,4S)-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 96513650
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone (CID 96513528) is cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone is C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1nc2ccccc2n1C.
What is the InChIKey of cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone?
The InChIKey is LFJVBADRAHYJKQ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-12-23(19(24)14-7-8-14)10-9-15(13)20-11-18-21-16-5-3-4-6-17(16)22(18)2/h3-6,13-15,20H,7-12H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 96513528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).