4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide

C14H23N5O2 — CID 70287749

IUPAC4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide
SMILESCC(=O)NCCN1CCN(C(=O)NC2C=NC=CC2)CC1
InChIInChI=1S/C14H23N5O2/c1-12(20)16-5-6-18-7-9-19(10-8-18)14(21)17-13-3-2-4-15-11-13/h2,4,11,13H,3,5-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyAQXUBVREPZYWQO-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.19
Rot. Bonds4

About 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide

4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide (PubChem CID 70287749) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide
PubChem CID70287749
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide
SMILESCC(=O)NCCN1CCN(C(=O)NC2C=NC=CC2)CC1
InChIInChI=1S/C14H23N5O2/c1-12(20)16-5-6-18-7-9-19(10-8-18)14(21)17-13-3-2-4-15-11-13/h2,4,11,13H,3,5-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyAQXUBVREPZYWQO-UHFFFAOYSA-N
XLogP-0.19
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide (CID 70287749) is 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide is CC(=O)NCCN1CCN(C(=O)NC2C=NC=CC2)CC1.
What is the InChIKey of 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide?
The InChIKey is AQXUBVREPZYWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-12(20)16-5-6-18-7-9-19(10-8-18)14(21)17-13-3-2-4-15-11-13/h2,4,11,13H,3,5-10H2,1H3,(H,16,20)(H,17,21).
What are the key properties of 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide?
4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetamidoethyl)-N-(3,4-dihydropyridin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 70287749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).