1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide

C20H30N6O — CID 3210488

IUPAC1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCC(C)CC(c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H30N6O/c1-15(2)14-18(25-11-9-17(10-12-25)19(21)27)20-22-23-24-26(20)13-8-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3,(H2,21,27)
InChIKeyRCIPRJKOHCAEDM-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.20
Rot. Bonds8

About 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide

1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (PubChem CID 3210488) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
PubChem CID3210488
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
SMILESCC(C)CC(c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H30N6O/c1-15(2)14-18(25-11-9-17(10-12-25)19(21)27)20-22-23-24-26(20)13-8-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3,(H2,21,27)
InChIKeyRCIPRJKOHCAEDM-UHFFFAOYSA-N
XLogP2.20
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-{(R)-1-[1-(2-butylcarbamoyl-ethyl)-1H-tetrazol-5-yl]-3-phenyl-propyl}-2-methyl-propionamide
CID 44434016
1-[(4-Fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 16192879
1-Cyclopentyl-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647025
1-{[1-(3-Methyl-butyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperidine-4-carboxylic acid amide
CID 648991
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine-4-carboxylic acid amide
CID 651035
N-[1-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperidin-4-yl]-acetamide
CID 654768
1-Allyl-4-{[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperazine
CID 6602544
CID 16192910
CID 16192910
4-Methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213475
4-[2-Methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-morpholine
CID 655880
1-[1-[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
CID 3209815
2,2-dimethyl-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]propanamide;hydrochloride
CID 16192839

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide (CID 3210488) is 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide is CC(C)CC(c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
The InChIKey is RCIPRJKOHCAEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15(2)14-18(25-11-9-17(10-12-25)19(21)27)20-22-23-24-26(20)13-8-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3,(H2,21,27).
What are the key properties of 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide?
1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 3210488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).