N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide

C14H28N4O — CID 115171658

IUPACN-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide
SMILESCN1CCC(C(C)(C)CNC(=O)N2CCNCC2)C1
InChIInChI=1S/C14H28N4O/c1-14(2,12-4-7-17(3)10-12)11-16-13(19)18-8-5-15-6-9-18/h12,15H,4-11H2,1-3H3,(H,16,19)
InChIKeyGWSLGOBAASPCJP-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.58
Rot. Bonds3

About N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide

N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide (PubChem CID 115171658) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide
PubChem CID115171658
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide
SMILESCN1CCC(C(C)(C)CNC(=O)N2CCNCC2)C1
InChIInChI=1S/C14H28N4O/c1-14(2,12-4-7-17(3)10-12)11-16-13(19)18-8-5-15-6-9-18/h12,15H,4-11H2,1-3H3,(H,16,19)
InChIKeyGWSLGOBAASPCJP-UHFFFAOYSA-N
XLogP0.58
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115191509
2-hydroxy-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115140342
2-methyl-2-(methylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]propanamide
CID 115165880
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
CID 115172849
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115158616
4-amino-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]pentanamide
CID 115156862
4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115157486
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115156200
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
[2-methyl-2-(1-methylpiperidin-3-yl)propyl]carbamothioic S-acid
CID 115170602

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide (CID 115171658) is N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide is CN1CCC(C(C)(C)CNC(=O)N2CCNCC2)C1.
What is the InChIKey of N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide?
The InChIKey is GWSLGOBAASPCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-14(2,12-4-7-17(3)10-12)11-16-13(19)18-8-5-15-6-9-18/h12,15H,4-11H2,1-3H3,(H,16,19).
What are the key properties of N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide?
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 115171658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).