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

C18H27N3O2 — CID 119930350

IUPAC(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(CC3CCNCC3)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-23-17-4-2-3-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-7-19-8-6-15/h2-4,13,15,19H,5-12,14H2,1H3
InChIKeyTUHAUNOTKGDAJQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.45
Rot. Bonds4

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

(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 119930350) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID119930350
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(CC3CCNCC3)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-23-17-4-2-3-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-7-19-8-6-15/h2-4,13,15,19H,5-12,14H2,1H3
InChIKeyTUHAUNOTKGDAJQ-UHFFFAOYSA-N
XLogP1.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 17385000
[4-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 95718703
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930485
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
[4-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 7354682
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 55902036
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119727463
(3-amino-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81093481

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone (CID 119930350) is (3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(CC3CCNCC3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is TUHAUNOTKGDAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-23-17-4-2-3-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-7-19-8-6-15/h2-4,13,15,19H,5-12,14H2,1H3.
What are the key properties of (3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119930350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).