N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide

C17H31N5O3 — CID 119480879

IUPACN-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N2CCCC(C(=O)NCCN)C2)CC1=O
InChIInChI=1S/C17H31N5O3/c1-20(2)8-9-21-12-14(10-15(21)23)17(25)22-7-3-4-13(11-22)16(24)19-6-5-18/h13-14H,3-12,18H2,1-2H3,(H,19,24)
InChIKeyVBBILYVKPVXTQB-UHFFFAOYSA-N
MW353.47 g/mol
LogP-1.29
Rot. Bonds7

About N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 119480879) has the molecular formula C17H31N5O3 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
PubChem CID119480879
Molecular FormulaC17H31N5O3
Molecular Weight353.47 g/mol
Exact Mass353.24
IUPAC NameN-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N2CCCC(C(=O)NCCN)C2)CC1=O
InChIInChI=1S/C17H31N5O3/c1-20(2)8-9-21-12-14(10-15(21)23)17(25)22-7-3-4-13(11-22)16(24)19-6-5-18/h13-14H,3-12,18H2,1-2H3,(H,19,24)
InChIKeyVBBILYVKPVXTQB-UHFFFAOYSA-N
XLogP-1.29
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide 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

N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119479811
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 119416484
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
N-(2-aminoethyl)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxamide
CID 119481485
N-(2-aminoethyl)-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-3-carboxamide
CID 119482275
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 108800270

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide (CID 119480879) is N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide is CN(C)CCN1CC(C(=O)N2CCCC(C(=O)NCCN)C2)CC1=O.
What is the InChIKey of N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is VBBILYVKPVXTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3/c1-20(2)8-9-21-12-14(10-15(21)23)17(25)22-7-3-4-13(11-22)16(24)19-6-5-18/h13-14H,3-12,18H2,1-2H3,(H,19,24).
What are the key properties of N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of -1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).