(1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

C18H22N6O3 — CID 55552818

IUPAC(1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESO=C(OCc1nnnn1C1CC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H22N6O3/c25-17(27-12-16-20-21-22-24(16)15-8-9-15)13-5-4-10-23(11-13)18(26)19-14-6-2-1-3-7-14/h1-3,6-7,13,15H,4-5,8-12H2,(H,19,26)
InChIKeyLBBSZSNXJOASSL-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.00
Rot. Bonds5

About (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

(1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (PubChem CID 55552818) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
PubChem CID55552818
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name(1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESO=C(OCc1nnnn1C1CC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H22N6O3/c25-17(27-12-16-20-21-22-24(16)15-8-9-15)13-5-4-10-23(11-13)18(26)19-14-6-2-1-3-7-14/h1-3,6-7,13,15H,4-5,8-12H2,(H,19,26)
InChIKeyLBBSZSNXJOASSL-UHFFFAOYSA-N
XLogP2.00
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55634436
(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 47013955
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426124
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426064
(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
CID 32578740
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55534165
(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 94810986
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] (3S)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95591572
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55529976
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] (3R)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95351124

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (CID 55552818) is (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is O=C(OCc1nnnn1C1CC1)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is LBBSZSNXJOASSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c25-17(27-12-16-20-21-22-24(16)15-8-9-15)13-5-4-10-23(11-13)18(26)19-14-6-2-1-3-7-14/h1-3,6-7,13,15H,4-5,8-12H2,(H,19,26).
What are the key properties of (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
(1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55552818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).