1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride

C20H29ClN6O — CID 119624478

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C20H28N6O.ClH/c1-15-22-23-24-26(15)19(13-16-5-3-2-4-6-16)20(27)25-11-9-18(10-12-25)21-14-17-7-8-17;/h2-6,17-19,21H,7-14H2,1H3;1H
InChIKeyMTZVXCVINJIPOX-UHFFFAOYSA-N
MW404.95 g/mol
LogP2.18
Rot. Bonds7

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

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119624478) has the molecular formula C20H29ClN6O and a molecular weight of 404.95 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119624478
Molecular FormulaC20H29ClN6O
Molecular Weight404.95 g/mol
Exact Mass404.21
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCc1nnnn1C(Cc1ccccc1)C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C20H28N6O.ClH/c1-15-22-23-24-26(15)19(13-16-5-3-2-4-6-16)20(27)25-11-9-18(10-12-25)21-14-17-7-8-17;/h2-6,17-19,21H,7-14H2,1H3;1H
InChIKeyMTZVXCVINJIPOX-UHFFFAOYSA-N
XLogP2.18
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 119647333
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
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970829
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119619312
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride (CID 119624478) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride is Cc1nnnn1C(Cc1ccccc1)C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is MTZVXCVINJIPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O.ClH/c1-15-22-23-24-26(15)19(13-16-5-3-2-4-6-16)20(27)25-11-9-18(10-12-25)21-14-17-7-8-17;/h2-6,17-19,21H,7-14H2,1H3;1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 404.95 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119624478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).