N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide

C12H24N4O — CID 60717706

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(CCNC(=O)C2CCCN2)CC1
InChIInChI=1S/C12H24N4O/c1-15-7-9-16(10-8-15)6-5-14-12(17)11-3-2-4-13-11/h11,13H,2-10H2,1H3,(H,14,17)
InChIKeyVMBJSYOJHXECEM-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.90
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 60717706) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID60717706
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(CCNC(=O)C2CCCN2)CC1
InChIInChI=1S/C12H24N4O/c1-15-7-9-16(10-8-15)6-5-14-12(17)11-3-2-4-13-11/h11,13H,2-10H2,1H3,(H,14,17)
InChIKeyVMBJSYOJHXECEM-UHFFFAOYSA-N
XLogP-0.90
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
(2R)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 103813586
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 119895451
(2S)-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide;trihydrochloride
CID 119902479
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119902310
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119863890
(2S)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081384
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-2-carboxamide
CID 119850094
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide (CID 60717706) is N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide is CN1CCN(CCNC(=O)C2CCCN2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is VMBJSYOJHXECEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-15-7-9-16(10-8-15)6-5-14-12(17)11-3-2-4-13-11/h11,13H,2-10H2,1H3,(H,14,17).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60717706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).