1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone

C20H39N5O — CID 142205067

IUPAC1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone
SMILESCN1CCC(N2CCCC(CNCC(=O)N3CCCN(C)CC3)C2)CC1
InChIInChI=1S/C20H39N5O/c1-22-8-4-10-24(14-13-22)20(26)16-21-15-18-5-3-9-25(17-18)19-6-11-23(2)12-7-19/h18-19,21H,3-17H2,1-2H3
InChIKeyZMKGTABOAZZBHP-UHFFFAOYSA-N
MW365.57 g/mol
LogP0.55
Rot. Bonds5

About 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone

1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone (PubChem CID 142205067) has the molecular formula C20H39N5O and a molecular weight of 365.57 g/mol. Its IUPAC name is 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone.

Molecular Properties

Compound Name1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone
PubChem CID142205067
Molecular FormulaC20H39N5O
Molecular Weight365.57 g/mol
Exact Mass365.32
IUPAC Name1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone
SMILESCN1CCC(N2CCCC(CNCC(=O)N3CCCN(C)CC3)C2)CC1
InChIInChI=1S/C20H39N5O/c1-22-8-4-10-24(14-13-22)20(26)16-21-15-18-5-3-9-25(17-18)19-6-11-23(2)12-7-19/h18-19,21H,3-17H2,1-2H3
InChIKeyZMKGTABOAZZBHP-UHFFFAOYSA-N
XLogP0.55
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone with MolForge

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Related Compounds

2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
N-[2-[4-[(3R)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95557669
2-[(1-cycloheptylpiperidin-3-yl)methylamino]acetic acid
CID 106814208
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106129832
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
2,2,3-trimethyl-N-[[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]methyl]but-3-enamide
CID 95222569
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
2-[(2-methylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 55013400
N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513081

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone?
The IUPAC name of 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone (CID 142205067) is 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone.
What is the SMILES notation for 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone?
The canonical SMILES for 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone is CN1CCC(N2CCCC(CNCC(=O)N3CCCN(C)CC3)C2)CC1.
What is the InChIKey of 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone?
The InChIKey is ZMKGTABOAZZBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O/c1-22-8-4-10-24(14-13-22)20(26)16-21-15-18-5-3-9-25(17-18)19-6-11-23(2)12-7-19/h18-19,21H,3-17H2,1-2H3.
What are the key properties of 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone?
1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone has a molecular weight of 365.57 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,4-diazepan-1-yl)-2-[[1-(1-methylpiperidin-4-yl)piperidin-3-yl]methylamino]ethanone is sourced from PubChem (CID 142205067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).