1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide

C18H32N6O2 — CID 163303050

IUPAC1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C1CCNCC1)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C18H32N6O2/c1-21-17(25)15-3-2-10-23(15)18(26)16(13-6-8-22-9-7-13)24(20)11-14(19)12-4-5-12/h11-13,15-16,22H,2-10,19-20H2,1H3,(H,21,25)/b14-11-
InChIKeyDUEULENCQCOMPI-KAMYIIQDSA-N
MW364.49 g/mol
LogP-0.52
Rot. Bonds6

About 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 163303050) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID163303050
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C1CCNCC1)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C18H32N6O2/c1-21-17(25)15-3-2-10-23(15)18(26)16(13-6-8-22-9-7-13)24(20)11-14(19)12-4-5-12/h11-13,15-16,22H,2-10,19-20H2,1H3,(H,21,25)/b14-11-
InChIKeyDUEULENCQCOMPI-KAMYIIQDSA-N
XLogP-0.52
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide (CID 163303050) is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(C1CCNCC1)N(N)/C=C(\N)C1CC1.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DUEULENCQCOMPI-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-21-17(25)15-3-2-10-23(15)18(26)16(13-6-8-22-9-7-13)24(20)11-14(19)12-4-5-12/h11-13,15-16,22H,2-10,19-20H2,1H3,(H,21,25)/b14-11-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of -0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-piperidin-4-ylacetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163303050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).