N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide

C14H22N4O2 — CID 70289168

IUPACN-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)C2C=NC=CC2)CC1
InChIInChI=1S/C14H22N4O2/c1-12(19)16-5-6-17-7-9-18(10-8-17)14(20)13-3-2-4-15-11-13/h2,4,11,13H,3,5-10H2,1H3,(H,16,19)
InChIKeyDDNRCQBKLSETPF-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.13
Rot. Bonds4

About N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide

N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70289168) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide
PubChem CID70289168
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(=O)C2C=NC=CC2)CC1
InChIInChI=1S/C14H22N4O2/c1-12(19)16-5-6-17-7-9-18(10-8-17)14(20)13-3-2-4-15-11-13/h2,4,11,13H,3,5-10H2,1H3,(H,16,19)
InChIKeyDDNRCQBKLSETPF-UHFFFAOYSA-N
XLogP-0.13
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide (CID 70289168) is N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(C(=O)C2C=NC=CC2)CC1.
What is the InChIKey of N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is DDNRCQBKLSETPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-12(19)16-5-6-17-7-9-18(10-8-17)14(20)13-3-2-4-15-11-13/h2,4,11,13H,3,5-10H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70289168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).