1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

C20H34N6O3 — CID 163303032

IUPAC1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C1CCN(C(C)=O)CC1)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C20H34N6O3/c1-13(27)24-10-7-15(8-11-24)18(26(22)12-16(21)14-5-6-14)20(29)25-9-3-4-17(25)19(28)23-2/h12,14-15,17-18H,3-11,21-22H2,1-2H3,(H,23,28)/b16-12-
InChIKeyNSHJJDFFCFHNHU-VBKFSLOCSA-N
MW406.53 g/mol
LogP-0.26
Rot. Bonds6

About 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 163303032) has the molecular formula C20H34N6O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID163303032
Molecular FormulaC20H34N6O3
Molecular Weight406.53 g/mol
Exact Mass406.27
IUPAC Name1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C1CCN(C(C)=O)CC1)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C20H34N6O3/c1-13(27)24-10-7-15(8-11-24)18(26(22)12-16(21)14-5-6-14)20(29)25-9-3-4-17(25)19(28)23-2/h12,14-15,17-18H,3-11,21-22H2,1-2H3,(H,23,28)/b16-12-
InChIKeyNSHJJDFFCFHNHU-VBKFSLOCSA-N
XLogP-0.26
TPSA125.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 163303032) is 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(C1CCN(C(C)=O)CC1)N(N)/C=C(\N)C1CC1.
What is the InChIKey of 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is NSHJJDFFCFHNHU-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H34N6O3/c1-13(27)24-10-7-15(8-11-24)18(26(22)12-16(21)14-5-6-14)20(29)25-9-3-4-17(25)19(28)23-2/h12,14-15,17-18H,3-11,21-22H2,1-2H3,(H,23,28)/b16-12-.
What are the key properties of 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163303032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).