N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide

C15H26N4O2 — CID 174352596

IUPACN-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C15H26N4O2/c1-2-14(20)19-8-3-13(4-9-19)15(21)17-7-12-18-10-5-16-6-11-18/h2,13,16H,1,3-12H2,(H,17,21)
InChIKeyNRVATYCPELGFHY-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.57
Rot. Bonds5

About N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide

N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 174352596) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID174352596
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C15H26N4O2/c1-2-14(20)19-8-3-13(4-9-19)15(21)17-7-12-18-10-5-16-6-11-18/h2,13,16H,1,3-12H2,(H,17,21)
InChIKeyNRVATYCPELGFHY-UHFFFAOYSA-N
XLogP-0.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide (CID 174352596) is N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NCCN2CCNCC2)CC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is NRVATYCPELGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-2-14(20)19-8-3-13(4-9-19)15(21)17-7-12-18-10-5-16-6-11-18/h2,13,16H,1,3-12H2,(H,17,21).
What are the key properties of N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide?
N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 174352596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).