1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

C16H32N4O — CID 63849279

IUPAC1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(C)NCC1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-14(2)17-12-15-4-6-19(7-5-15)13-16(21)20-10-8-18(3)9-11-20/h14-15,17H,4-13H2,1-3H3
InChIKeyBKLPTURKQAPNOY-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.47
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (PubChem CID 63849279) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
PubChem CID63849279
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(C)NCC1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-14(2)17-12-15-4-6-19(7-5-15)13-16(21)20-10-8-18(3)9-11-20/h14-15,17H,4-13H2,1-3H3
InChIKeyBKLPTURKQAPNOY-UHFFFAOYSA-N
XLogP0.47
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
1-(4-methylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 170569122
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
N-methyl-N-propan-2-yl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848072
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849774
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63847192
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 63849110
N-(cyanomethyl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848069
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (CID 63849279) is 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is CC(C)NCC1CCN(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The InChIKey is BKLPTURKQAPNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-14(2)17-12-15-4-6-19(7-5-15)13-16(21)20-10-8-18(3)9-11-20/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone has a molecular weight of 296.46 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 63849279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).