1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride

C16H22ClFN6O — CID 119374164

IUPAC1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C16H21FN6O.ClH/c1-11-19-20-21-23(11)15(10-12-3-2-4-13(17)9-12)16(24)22-7-5-14(18)6-8-22;/h2-4,9,14-15H,5-8,10,18H2,1H3;1H
InChIKeyGRCWNHRZLJMBIW-UHFFFAOYSA-N
MW368.84 g/mol
LogP1.28
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride

1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride (PubChem CID 119374164) has the molecular formula C16H22ClFN6O and a molecular weight of 368.84 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
PubChem CID119374164
Molecular FormulaC16H22ClFN6O
Molecular Weight368.84 g/mol
Exact Mass368.15
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C16H21FN6O.ClH/c1-11-19-20-21-23(11)15(10-12-3-2-4-13(17)9-12)16(24)22-7-5-14(18)6-8-22;/h2-4,9,14-15H,5-8,10,18H2,1H3;1H
InChIKeyGRCWNHRZLJMBIW-UHFFFAOYSA-N
XLogP1.28
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166807
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 112828850
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one
CID 47048015
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 47041474
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 119519892
1-[2-(4-ethynylphenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one
CID 166343594
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119624478
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 119647333
N-[2-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119602128
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 111561044
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 51082128

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride (CID 119374164) is 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride is Cc1nnnn1C(Cc1cccc(F)c1)C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride?
The InChIKey is GRCWNHRZLJMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O.ClH/c1-11-19-20-21-23(11)15(10-12-3-2-4-13(17)9-12)16(24)22-7-5-14(18)6-8-22;/h2-4,9,14-15H,5-8,10,18H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride?
1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride has a molecular weight of 368.84 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119374164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).