N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride

C16H33ClN4O — CID 120898228

IUPACN-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCCC(C)NC(=O)CN1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C16H32N4O.ClH/c1-4-14(2)18-15(21)11-19-7-9-20(10-8-19)13-16(3)5-6-17-12-16;/h14,17H,4-13H2,1-3H3,(H,18,21);1H
InChIKeyLGSVZVLPCUKZHM-UHFFFAOYSA-N
MW332.92 g/mol
LogP0.94
Rot. Bonds6

About N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride

N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120898228) has the molecular formula C16H33ClN4O and a molecular weight of 332.92 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
PubChem CID120898228
Molecular FormulaC16H33ClN4O
Molecular Weight332.92 g/mol
Exact Mass332.23
IUPAC NameN-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCCC(C)NC(=O)CN1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C16H32N4O.ClH/c1-4-14(2)18-15(21)11-19-7-9-20(10-8-19)13-16(3)5-6-17-12-16;/h14,17H,4-13H2,1-3H3,(H,18,21);1H
InChIKeyLGSVZVLPCUKZHM-UHFFFAOYSA-N
XLogP0.94
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.92
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120899912
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
N,N-diethyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide
CID 120897865
N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898003
N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
CID 120898363
N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850222
2-[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 120898244
1-(azepan-1-yl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120897835
N-butan-2-yl-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 113283097
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119737579
N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride
CID 120901243

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride (CID 120898228) is N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride is CCC(C)NC(=O)CN1CCN(CC2(C)CCNC2)CC1.Cl.
What is the InChIKey of N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is LGSVZVLPCUKZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.ClH/c1-4-14(2)18-15(21)11-19-7-9-20(10-8-19)13-16(3)5-6-17-12-16;/h14,17H,4-13H2,1-3H3,(H,18,21);1H.
What are the key properties of N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 332.92 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120898228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).