1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C18H26N6O — CID 24816604

IUPAC1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CCn3cnnn3)C2)cc1
InChIInChI=1S/C18H26N6O/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-10-23(12-17)18(25)9-11-24-13-19-21-22-24/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3
InChIKeyJECGXUXDUZNZQO-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.29
Rot. Bonds6

About 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 24816604) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID24816604
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CCn3cnnn3)C2)cc1
InChIInChI=1S/C18H26N6O/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-10-23(12-17)18(25)9-11-24-13-19-21-22-24/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3
InChIKeyJECGXUXDUZNZQO-UHFFFAOYSA-N
XLogP2.29
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 3230219
1-(2-methylphenyl)-4-{1-[3-(1H-tetrazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 24790596
N-(4-isopropylphenyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3-piperidinamine
CID 24818921
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-3-(1H-tetrazol-1-yl)propanamide
CID 24819184
[(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone
CID 44443313
[(3R,4R)-4-amino-1-(4-[1,2,4]triazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone
CID 44443319
tert-butyl 4-(1-(2-(4-(1H-tetrazol-1-yl)phenyl)acetamido)propan-2-yl)piperidine-1-carboxylate
CID 53317209
3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide
CID 71461338
1-[[(5-amino-1H-tetrazol-1-yl)acetyl](isobutyl)amino]-N-(4-methylphenyl)cyclohexanecarboxamide
CID 1045078
N-(2-benzylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2612876
N-(4-ethylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 3891102
N-(3-methylphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5297177

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 24816604) is 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is CC(C)c1ccc(NC2CCCN(C(=O)CCn3cnnn3)C2)cc1.
What is the InChIKey of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is JECGXUXDUZNZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-10-23(12-17)18(25)9-11-24-13-19-21-22-24/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 342.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 24816604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).