tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate

C21H30N4O3 — CID 29322747

IUPACtert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCCn1c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21
InChIInChI=1S/C21H30N4O3/c1-5-12-25-17-9-7-6-8-16(17)22-19(25)23-18(26)15-10-13-24(14-11-15)20(27)28-21(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H,22,23,26)
InChIKeyICLSSHZBRRYJPC-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.03
Rot. Bonds4

About tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 29322747) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID29322747
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Nametert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCCCn1c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21
InChIInChI=1S/C21H30N4O3/c1-5-12-25-17-9-7-6-8-16(17)22-19(25)23-18(26)15-10-13-24(14-11-15)20(27)28-21(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H,22,23,26)
InChIKeyICLSSHZBRRYJPC-UHFFFAOYSA-N
XLogP4.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethylsulfonyl-N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 34052499
tert-butyl 4-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 40716679
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate
CID 46557950
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42030130
tert-butyl 4-[[1-[(3-butoxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 70320737
tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate
CID 70104650
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25349789
4-butyl-N-(1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide
CID 3346804

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate (CID 29322747) is tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate is CCCn1c(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)nc2ccccc21.
What is the InChIKey of tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is ICLSSHZBRRYJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-5-12-25-17-9-7-6-8-16(17)22-19(25)23-18(26)15-10-13-24(14-11-15)20(27)28-21(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H,22,23,26).
What are the key properties of tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 29322747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).