ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

C21H44N4O — CID 167478965

IUPACethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC.CC(C)N(C)CC(=O)N1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O.C2H6/c1-16(2)20(5)15-19(24)23-12-10-21(11-13-23)14-18-6-8-22(9-7-18)17(3)4;1-2/h16-18H,6-15H2,1-5H3;1-2H3
InChIKeyQRPSRZZJQHASOQ-UHFFFAOYSA-N
MW368.61 g/mol
LogP2.62
Rot. Bonds6

About ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 167478965) has the molecular formula C21H44N4O and a molecular weight of 368.61 g/mol. Its IUPAC name is ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID167478965
Molecular FormulaC21H44N4O
Molecular Weight368.61 g/mol
Exact Mass368.35
IUPAC Nameethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC.CC(C)N(C)CC(=O)N1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O.C2H6/c1-16(2)20(5)15-19(24)23-12-10-21(11-13-23)14-18-6-8-22(9-7-18)17(3)4;1-2/h16-18H,6-15H2,1-5H3;1-2H3
InChIKeyQRPSRZZJQHASOQ-UHFFFAOYSA-N
XLogP2.62
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide
CID 170620925
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane
CID 176577196
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-4-propoxybutan-1-one
CID 156820393
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
CID 167125945

Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (CID 167478965) is ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is CC.CC(C)N(C)CC(=O)N1CCN(CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is QRPSRZZJQHASOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O.C2H6/c1-16(2)20(5)15-19(24)23-12-10-21(11-13-23)14-18-6-8-22(9-7-18)17(3)4;1-2/h16-18H,6-15H2,1-5H3;1-2H3.
What are the key properties of ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 368.61 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 167478965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).