1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one

C19H28N6O — CID 119647333

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
SMILESCCNCC1CCN(C(=O)C(Cc2ccccc2)n2nnnc2C)CC1
InChIInChI=1S/C19H28N6O/c1-3-20-14-17-9-11-24(12-10-17)19(26)18(25-15(2)21-22-23-25)13-16-7-5-4-6-8-16/h4-8,17-18,20H,3,9-14H2,1-2H3
InChIKeyLEKMJRJHIIBTEZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.61
Rot. Bonds7

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one (PubChem CID 119647333) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
PubChem CID119647333
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
SMILESCCNCC1CCN(C(=O)C(Cc2ccccc2)n2nnnc2C)CC1
InChIInChI=1S/C19H28N6O/c1-3-20-14-17-9-11-24(12-10-17)19(26)18(25-15(2)21-22-23-25)13-16-7-5-4-6-8-16/h4-8,17-18,20H,3,9-14H2,1-2H3
InChIKeyLEKMJRJHIIBTEZ-UHFFFAOYSA-N
XLogP1.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119624478
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 119519892
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 111561044
1-(1,4-diazepan-1-yl)-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119417552
1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119374164
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166807
2-[1-[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 47041597
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one
CID 47048015
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
ethyl 1-[3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-3-carboxylate
CID 47038973
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 112828850
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119644723

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one (CID 119647333) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one is CCNCC1CCN(C(=O)C(Cc2ccccc2)n2nnnc2C)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one?
The InChIKey is LEKMJRJHIIBTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-20-14-17-9-11-24(12-10-17)19(26)18(25-15(2)21-22-23-25)13-16-7-5-4-6-8-16/h4-8,17-18,20H,3,9-14H2,1-2H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one?
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one has a molecular weight of 356.47 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 119647333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).