(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

C19H28N2O — CID 141155816

IUPAC(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(CN3CCCCC3)CC2)c1
InChIInChI=1S/C19H28N2O/c1-16-6-5-7-18(14-16)19(22)21-12-8-17(9-13-21)15-20-10-3-2-4-11-20/h5-7,14,17H,2-4,8-13,15H2,1H3
InChIKeyQDDHVRVNJMUDSF-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.33
Rot. Bonds3

About (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 141155816) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID141155816
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(CN3CCCCC3)CC2)c1
InChIInChI=1S/C19H28N2O/c1-16-6-5-7-18(14-16)19(22)21-12-8-17(9-13-21)15-20-10-3-2-4-11-20/h5-7,14,17H,2-4,8-13,15H2,1H3
InChIKeyQDDHVRVNJMUDSF-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
(E)-but-2-enedioic acid;[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 23039552
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 55890801
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78896065
(2-fluoro-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 61295127
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 114801549
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (CID 141155816) is (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC(CN3CCCCC3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is QDDHVRVNJMUDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16-6-5-7-18(14-16)19(22)21-12-8-17(9-13-21)15-20-10-3-2-4-11-20/h5-7,14,17H,2-4,8-13,15H2,1H3.
What are the key properties of (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 141155816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).