N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride

C15H31ClN4O — CID 120901243

IUPACN,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride
SMILESCN(C)C(=O)CCN1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C15H30N4O.ClH/c1-15(5-6-16-12-15)13-19-10-8-18(9-11-19)7-4-14(20)17(2)3;/h16H,4-13H2,1-3H3;1H
InChIKeyKBNZUOAMPRUYLX-UHFFFAOYSA-N
MW318.89 g/mol
LogP0.50
Rot. Bonds5

About N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride

N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride (PubChem CID 120901243) has the molecular formula C15H31ClN4O and a molecular weight of 318.89 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride
PubChem CID120901243
Molecular FormulaC15H31ClN4O
Molecular Weight318.89 g/mol
Exact Mass318.22
IUPAC NameN,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride
SMILESCN(C)C(=O)CCN1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C15H30N4O.ClH/c1-15(5-6-16-12-15)13-19-10-8-18(9-11-19)7-4-14(20)17(2)3;/h16H,4-13H2,1-3H3;1H
InChIKeyKBNZUOAMPRUYLX-UHFFFAOYSA-N
XLogP0.50
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
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,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
CID 120898363
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-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898228
N,N-dimethyl-3-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305448
N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120899912
2-cyclohexyl-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120903102
N,3-dimethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120904288
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120899942

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride?
The IUPAC name of N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride (CID 120901243) is N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride is CN(C)C(=O)CCN1CCN(CC2(C)CCNC2)CC1.Cl.
What is the InChIKey of N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride?
The InChIKey is KBNZUOAMPRUYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.ClH/c1-15(5-6-16-12-15)13-19-10-8-18(9-11-19)7-4-14(20)17(2)3;/h16H,4-13H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride?
N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 120901243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).