1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

C17H23N5O — CID 70772514

IUPAC1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCc1cccc(C2CCCN(C(=O)CCn3nnnc3C)C2)c1
InChIInChI=1S/C17H23N5O/c1-13-5-3-6-15(11-13)16-7-4-9-21(12-16)17(23)8-10-22-14(2)18-19-20-22/h3,5-6,11,16H,4,7-10,12H2,1-2H3
InChIKeyNIQOFVUNCSZWHO-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.09
Rot. Bonds4

About 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (PubChem CID 70772514) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
PubChem CID70772514
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCc1cccc(C2CCCN(C(=O)CCn3nnnc3C)C2)c1
InChIInChI=1S/C17H23N5O/c1-13-5-3-6-15(11-13)16-7-4-9-21(12-16)17(23)8-10-22-14(2)18-19-20-22/h3,5-6,11,16H,4,7-10,12H2,1-2H3
InChIKeyNIQOFVUNCSZWHO-UHFFFAOYSA-N
XLogP2.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118787851
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
CID 99971911
1-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118786989
3-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid
CID 72873518
1-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 97207435
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91779821
[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 70767661
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-[5-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92616532
3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 118790711

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (CID 70772514) is 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is Cc1cccc(C2CCCN(C(=O)CCn3nnnc3C)C2)c1.
What is the InChIKey of 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The InChIKey is NIQOFVUNCSZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-5-3-6-15(11-13)16-7-4-9-21(12-16)17(23)8-10-22-14(2)18-19-20-22/h3,5-6,11,16H,4,7-10,12H2,1-2H3.
What are the key properties of 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one has a molecular weight of 313.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 70772514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).