[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone

C18H27N3O2 — CID 139375674

IUPAC[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCNc1ccc(C(=O)N2CCN(CC3CCCCO3)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-19-16-7-5-15(6-8-16)18(22)21-11-9-20(10-12-21)14-17-4-2-3-13-23-17/h5-8,17,19H,2-4,9-14H2,1H3
InChIKeyGDTATOOBUPTIDU-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.06
Rot. Bonds4

About [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone

[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 139375674) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID139375674
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCNc1ccc(C(=O)N2CCN(CC3CCCCO3)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-19-16-7-5-15(6-8-16)18(22)21-11-9-20(10-12-21)14-17-4-2-3-13-23-17/h5-8,17,19H,2-4,9-14H2,1H3
InChIKeyGDTATOOBUPTIDU-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 55337800
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55349251
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
2-(4-acetylanilino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 71140798
N-[4-[4-[[(2S)-oxan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410204
1H-indol-6-yl-[4-(oxan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 138386314
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[4-(methylamino)phenyl]methanone
CID 62890118
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
(4-cyclopentyloxy-3-methoxyphenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55979698
(4-methoxyphenyl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121054018
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone (CID 139375674) is [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone is CNc1ccc(C(=O)N2CCN(CC3CCCCO3)CC2)cc1.
What is the InChIKey of [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is GDTATOOBUPTIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19-16-7-5-15(6-8-16)18(22)21-11-9-20(10-12-21)14-17-4-2-3-13-23-17/h5-8,17,19H,2-4,9-14H2,1H3.
What are the key properties of [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone?
[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 139375674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).