N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

C18H26N4O2 — CID 87012625

IUPACN-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCCN(CC(C)C#N)C(=O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H26N4O2/c1-3-21(13-15(2)12-19)18(24)14-20-8-10-22(11-9-20)16-6-4-5-7-17(16)23/h4-7,15,23H,3,8-11,13-14H2,1-2H3
InChIKeySKCKVTAKXZESIF-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.52
Rot. Bonds6

About N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 87012625) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID87012625
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCCN(CC(C)C#N)C(=O)CN1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H26N4O2/c1-3-21(13-15(2)12-19)18(24)14-20-8-10-22(11-9-20)16-6-4-5-7-17(16)23/h4-7,15,23H,3,8-11,13-14H2,1-2H3
InChIKeySKCKVTAKXZESIF-UHFFFAOYSA-N
XLogP1.52
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 87013786
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 36846949
N-(2-cyanopropyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899386
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
N-[(2S)-2-cyanopropyl]-N-ethyl-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 98850108
N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 60514491
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 24565043
N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 60516795
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 51092598
N-(2-cyanopropyl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 87014367
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (CID 87012625) is N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is CCN(CC(C)C#N)C(=O)CN1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is SKCKVTAKXZESIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-21(13-15(2)12-19)18(24)14-20-8-10-22(11-9-20)16-6-4-5-7-17(16)23/h4-7,15,23H,3,8-11,13-14H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 87012625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).