N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride

C15H31ClN4O — CID 120898363

IUPACN,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C15H30N4O.ClH/c1-4-18(5-2)14(20)19-10-8-17(9-11-19)13-15(3)6-7-16-12-15;/h16H,4-13H2,1-3H3;1H
InChIKeyXZCCDPPASGOTKQ-UHFFFAOYSA-N
MW318.89 g/mol
LogP1.49
Rot. Bonds4

About N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride

N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 120898363) has the molecular formula C15H31ClN4O and a molecular weight of 318.89 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
PubChem CID120898363
Molecular FormulaC15H31ClN4O
Molecular Weight318.89 g/mol
Exact Mass318.22
IUPAC NameN,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)N1CCN(CC2(C)CCNC2)CC1.Cl
InChIInChI=1S/C15H30N4O.ClH/c1-4-18(5-2)14(20)19-10-8-17(9-11-19)13-15(3)6-7-16-12-15;/h16H,4-13H2,1-3H3;1H
InChIKeyXZCCDPPASGOTKQ-UHFFFAOYSA-N
XLogP1.49
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(4-ethylpiperazin-1-yl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]ethanone
CID 120900089
N,N-dimethyl-3-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]propanamide;hydrochloride
CID 120901243
N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898228
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120899942
2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120897174
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
2-cyclohexyl-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120903102
[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120905036
N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
CID 120903287

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride (CID 120898363) is N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride is CCN(CC)C(=O)N1CCN(CC2(C)CCNC2)CC1.Cl.
What is the InChIKey of N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is XZCCDPPASGOTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.ClH/c1-4-18(5-2)14(20)19-10-8-17(9-11-19)13-15(3)6-7-16-12-15;/h16H,4-13H2,1-3H3;1H.
What are the key properties of N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride?
N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120898363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).