N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide

C14H24N4O — CID 70287461

IUPACN-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2C=CN=CC2)CC1
InChIInChI=1S/C14H24N4O/c1-13(19)16-6-7-17-8-10-18(11-9-17)12-14-2-4-15-5-3-14/h2,4-5,14H,3,6-12H2,1H3,(H,16,19)
InChIKeyCMUYXLYNUVMJRN-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.34
Rot. Bonds5

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

N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70287461) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
PubChem CID70287461
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2C=CN=CC2)CC1
InChIInChI=1S/C14H24N4O/c1-13(19)16-6-7-17-8-10-18(11-9-17)12-14-2-4-15-5-3-14/h2,4-5,14H,3,6-12H2,1H3,(H,16,19)
InChIKeyCMUYXLYNUVMJRN-UHFFFAOYSA-N
XLogP0.34
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2,3,4,5-tetrahydropyridin-5-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70285545
N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70289364
2-[4-(2-acetamidoethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823632
N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
CID 106672120
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]acetamide
CID 126999485
N-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]acetamide
CID 58837148
[1-(2-acetamidoethyl)piperidin-4-yl] acetate
CID 58811218
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
N-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide
CID 8871922

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide (CID 70287461) is N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CC2C=CN=CC2)CC1.
What is the InChIKey of N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is CMUYXLYNUVMJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-13(19)16-6-7-17-8-10-18(11-9-17)12-14-2-4-15-5-3-14/h2,4-5,14H,3,6-12H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 264.37 g/mol, XLogP of 0.34, 5 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-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70287461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).