1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide

C18H26N6O — CID 3210464

IUPAC1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
SMILESCCC(c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N6O/c1-2-16(23-11-9-15(10-12-23)17(19)25)18-20-21-22-24(18)13-8-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H2,19,25)
InChIKeyXGMXDAYEAQMXCI-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.56
Rot. Bonds7

About 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide

1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide (PubChem CID 3210464) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
PubChem CID3210464
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
SMILESCCC(c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26N6O/c1-2-16(23-11-9-15(10-12-23)17(19)25)18-20-21-22-24(18)13-8-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H2,19,25)
InChIKeyXGMXDAYEAQMXCI-UHFFFAOYSA-N
XLogP1.56
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
CID 653622
1-[(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 175654218
1-(2-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210461
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668554
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidine-4-carboxamide
CID 3208671
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 7397446
4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213475
1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine
CID 7397380
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171668401

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide (CID 3210464) is 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide is CCC(c1nnnn1CCc1ccccc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
The InChIKey is XGMXDAYEAQMXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-2-16(23-11-9-15(10-12-23)17(19)25)18-20-21-22-24(18)13-8-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H2,19,25).
What are the key properties of 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide?
1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 3210464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).