4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide

C20H30N4O2 — CID 120647168

IUPAC4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2nc3ccccc3n2C(C)C)CCNCC1
InChIInChI=1S/C20H30N4O2/c1-14(2)24-17-8-6-5-7-16(17)23-18(24)15(3)22-19(25)20(13-26-4)9-11-21-12-10-20/h5-8,14-15,21H,9-13H2,1-4H3,(H,22,25)
InChIKeyMHAXAKGTROOPIN-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.81
Rot. Bonds6

About 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 120647168) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID120647168
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2nc3ccccc3n2C(C)C)CCNCC1
InChIInChI=1S/C20H30N4O2/c1-14(2)24-17-8-6-5-7-16(17)23-18(24)15(3)22-19(25)20(13-26-4)9-11-21-12-10-20/h5-8,14-15,21H,9-13H2,1-4H3,(H,22,25)
InChIKeyMHAXAKGTROOPIN-UHFFFAOYSA-N
XLogP2.81
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 120629843
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942310
4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622091
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637796
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624559
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119186029
methyl 1-[[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylate
CID 99636066

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide (CID 120647168) is 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide is COCC1(C(=O)NC(C)c2nc3ccccc3n2C(C)C)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is MHAXAKGTROOPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14(2)24-17-8-6-5-7-16(17)23-18(24)15(3)22-19(25)20(13-26-4)9-11-21-12-10-20/h5-8,14-15,21H,9-13H2,1-4H3,(H,22,25).
What are the key properties of 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120647168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).