methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate

C25H32N4O3 — CID 67859768

IUPACmethyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C(C)N2CNc3ccccc32)CC1
InChIInChI=1S/C25H32N4O3/c1-4-23(30)29(20-10-6-5-7-11-20)25(24(31)32-3)14-16-27(17-15-25)19(2)28-18-26-21-12-8-9-13-22(21)28/h5-13,19,26H,4,14-18H2,1-3H3
InChIKeyNIQVYMOITZMISJ-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.67
Rot. Bonds6

About methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate

methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 67859768) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID67859768
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Namemethyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C(C)N2CNc3ccccc32)CC1
InChIInChI=1S/C25H32N4O3/c1-4-23(30)29(20-10-6-5-7-11-20)25(24(31)32-3)14-16-27(17-15-25)19(2)28-18-26-21-12-8-9-13-22(21)28/h5-13,19,26H,4,14-18H2,1-3H3
InChIKeyNIQVYMOITZMISJ-UHFFFAOYSA-N
XLogP3.67
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate (CID 67859768) is methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C(C)N2CNc3ccccc32)CC1.
What is the InChIKey of methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is NIQVYMOITZMISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-4-23(30)29(20-10-6-5-7-11-20)25(24(31)32-3)14-16-27(17-15-25)19(2)28-18-26-21-12-8-9-13-22(21)28/h5-13,19,26H,4,14-18H2,1-3H3.
What are the key properties of methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate?
methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 67859768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).