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

C19H31ClN4O — CID 120898003

IUPACN-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCC1(CN2CCN(CC(=O)NCc3ccccc3)CC2)CCNC1.Cl
InChIInChI=1S/C19H30N4O.ClH/c1-19(7-8-20-15-19)16-23-11-9-22(10-12-23)14-18(24)21-13-17-5-3-2-4-6-17;/h2-6,20H,7-16H2,1H3,(H,21,24);1H
InChIKeyIOFRIEHBBXGKHR-UHFFFAOYSA-N
MW366.94 g/mol
LogP1.34
Rot. Bonds6

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

N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120898003) has the molecular formula C19H31ClN4O and a molecular weight of 366.94 g/mol. Its IUPAC name is N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
PubChem CID120898003
Molecular FormulaC19H31ClN4O
Molecular Weight366.94 g/mol
Exact Mass366.22
IUPAC NameN-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCC1(CN2CCN(CC(=O)NCc3ccccc3)CC2)CCNC1.Cl
InChIInChI=1S/C19H30N4O.ClH/c1-19(7-8-20-15-19)16-23-11-9-22(10-12-23)14-18(24)21-13-17-5-3-2-4-6-17;/h2-6,20H,7-16H2,1H3,(H,21,24);1H
InChIKeyIOFRIEHBBXGKHR-UHFFFAOYSA-N
XLogP1.34
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.94
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120897745
N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898228
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120899912
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
CID 66202371
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302
N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide
CID 39687530
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzylacetamide;hydrochloride
CID 120663951
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride (CID 120898003) is N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride is CC1(CN2CCN(CC(=O)NCc3ccccc3)CC2)CCNC1.Cl.
What is the InChIKey of N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is IOFRIEHBBXGKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.ClH/c1-19(7-8-20-15-19)16-23-11-9-22(10-12-23)14-18(24)21-13-17-5-3-2-4-6-17;/h2-6,20H,7-16H2,1H3,(H,21,24);1H.
What are the key properties of N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 366.94 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120898003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).