4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide

C14H27N5O — CID 116658958

IUPAC4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
SMILES[H]/N=C(\N)C(CCC)N1CCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C14H27N5O/c1-2-4-12(13(15)16)18-7-9-19(10-8-18)14(20)17-11-5-3-6-11/h11-12H,2-10H2,1H3,(H3,15,16)(H,17,20)
InChIKeyDYMVZBDNSCZEAJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.97
Rot. Bonds5

About 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide

4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide (PubChem CID 116658958) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
PubChem CID116658958
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
SMILES[H]/N=C(\N)C(CCC)N1CCN(C(=O)NC2CCC2)CC1
InChIInChI=1S/C14H27N5O/c1-2-4-12(13(15)16)18-7-9-19(10-8-18)14(20)17-11-5-3-6-11/h11-12H,2-10H2,1H3,(H3,15,16)(H,17,20)
InChIKeyDYMVZBDNSCZEAJ-UHFFFAOYSA-N
XLogP0.97
TPSA85.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide (CID 116658958) is 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide is [H]/N=C(\N)C(CCC)N1CCN(C(=O)NC2CCC2)CC1.
What is the InChIKey of 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
The InChIKey is DYMVZBDNSCZEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-2-4-12(13(15)16)18-7-9-19(10-8-18)14(20)17-11-5-3-6-11/h11-12H,2-10H2,1H3,(H3,15,16)(H,17,20).
What are the key properties of 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide?
4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-iminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide is sourced from PubChem (CID 116658958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).