N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide

C13H26N4O — CID 102779490

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H26N4O/c1-10-4-5-14-12(10)13(18)15-8-11-9-16(2)6-7-17(11)3/h10-12,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyKYOQEXJFOCOGSV-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.65
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779490) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102779490
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H26N4O/c1-10-4-5-14-12(10)13(18)15-8-11-9-16(2)6-7-17(11)3/h10-12,14H,4-9H2,1-3H3,(H,15,18)
InChIKeyKYOQEXJFOCOGSV-UHFFFAOYSA-N
XLogP-0.65
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102777267
N-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82917561
3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide
CID 63899029
3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide
CID 102779046
3-methyl-N-(thiolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 107296120
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 63897115
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627592
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide
CID 120939853
N-(2-cyclobutylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102780059
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide;trihydrochloride
CID 119903262

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide (CID 102779490) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)NCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is KYOQEXJFOCOGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10-4-5-14-12(10)13(18)15-8-11-9-16(2)6-7-17(11)3/h10-12,14H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 254.38 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).