(3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone

C21H32N2O — CID 92672516

IUPAC(3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
SMILESC[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)C1
InChIInChI=1S/C21H32N2O/c1-17-6-4-12-22(14-17)15-18-7-9-19(10-8-18)20(24)23-13-5-11-21(2,3)16-23/h7-10,17H,4-6,11-16H2,1-3H3/t17-/m0/s1
InChIKeyFSZNSLQDCUQITK-KRWDZBQOSA-N
MW328.50 g/mol
LogP4.18
Rot. Bonds3

About (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone

(3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone (PubChem CID 92672516) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
PubChem CID92672516
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name(3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
SMILESC[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)C1
InChIInChI=1S/C21H32N2O/c1-17-6-4-12-22(14-17)15-18-7-9-19(10-8-18)20(24)23-13-5-11-21(2,3)16-23/h7-10,17H,4-6,11-16H2,1-3H3/t17-/m0/s1
InChIKeyFSZNSLQDCUQITK-KRWDZBQOSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
CID 93492100
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone
CID 92685521
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 35323177
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 45147653
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
The IUPAC name of (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone (CID 92672516) is (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone is C[C@H]1CCCN(Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)C1.
What is the InChIKey of (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
The InChIKey is FSZNSLQDCUQITK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H32N2O/c1-17-6-4-12-22(14-17)15-18-7-9-19(10-8-18)20(24)23-13-5-11-21(2,3)16-23/h7-10,17H,4-6,11-16H2,1-3H3/t17-/m0/s1.
What are the key properties of (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone?
(3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone has a molecular weight of 328.50 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-1-yl)-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 92672516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).