[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C20H28N6O — CID 52523347

IUPAC[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CCN(C[C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)CC1
InChIInChI=1S/C20H28N6O/c1-16-7-10-24(11-8-16)13-17-4-3-9-25(14-17)20(27)18-5-2-6-19(12-18)26-15-21-22-23-26/h2,5-6,12,15-17H,3-4,7-11,13-14H2,1H3/t17-/m0/s1
InChIKeyJIMAOEPWFSHHMA-KRWDZBQOSA-N
MW368.49 g/mol
LogP2.25
Rot. Bonds4

About [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 52523347) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID52523347
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCC1CCN(C[C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)CC1
InChIInChI=1S/C20H28N6O/c1-16-7-10-24(11-8-16)13-17-4-3-9-25(14-17)20(27)18-5-2-6-19(12-18)26-15-21-22-23-26/h2,5-6,12,15-17H,3-4,7-11,13-14H2,1H3/t17-/m0/s1
InChIKeyJIMAOEPWFSHHMA-KRWDZBQOSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
2H-benzotriazol-5-yl-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94821961
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 124740786
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 95282434
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 52518702
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 52523347) is [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is CC1CCN(C[C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)CC1.
What is the InChIKey of [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is JIMAOEPWFSHHMA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N6O/c1-16-7-10-24(11-8-16)13-17-4-3-9-25(14-17)20(27)18-5-2-6-19(12-18)26-15-21-22-23-26/h2,5-6,12,15-17H,3-4,7-11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 368.49 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 52523347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).