N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide

C14H25N5O3 — CID 108518014

IUPACN-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
SMILESNCCN1CCN(C(=O)C(=O)NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C14H25N5O3/c15-3-6-18-7-9-19(10-8-18)14(22)13(21)17-12(20)11-1-4-16-5-2-11/h11,16H,1-10,15H2,(H,17,20,21)
InChIKeySSSOZGJNMNRFFF-UHFFFAOYSA-N
MW311.39 g/mol
LogP-2.27
Rot. Bonds3

About N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide

N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 108518014) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID108518014
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC NameN-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
SMILESNCCN1CCN(C(=O)C(=O)NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C14H25N5O3/c15-3-6-18-7-9-19(10-8-18)14(22)13(21)17-12(20)11-1-4-16-5-2-11/h11,16H,1-10,15H2,(H,17,20,21)
InChIKeySSSOZGJNMNRFFF-UHFFFAOYSA-N
XLogP-2.27
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-2.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide (CID 108518014) is N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide is NCCN1CCN(C(=O)C(=O)NC(=O)C2CCNCC2)CC1.
What is the InChIKey of N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is SSSOZGJNMNRFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c15-3-6-18-7-9-19(10-8-18)14(22)13(21)17-12(20)11-1-4-16-5-2-11/h11,16H,1-10,15H2,(H,17,20,21).
What are the key properties of N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide?
N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of -2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108518014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).