N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide

C22H34N4O3 — CID 112820092

IUPACN-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-17(19-10-6-7-11-20(19)29-2)23-21(27)16-25-12-14-26(15-13-25)22(28)24-18-8-4-3-5-9-18/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyCTRYNKIYIXXSHP-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.53
Rot. Bonds6

About N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide

N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 112820092) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
PubChem CID112820092
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-17(19-10-6-7-11-20(19)29-2)23-21(27)16-25-12-14-26(15-13-25)22(28)24-18-8-4-3-5-9-18/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyCTRYNKIYIXXSHP-UHFFFAOYSA-N
XLogP2.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 110891543
2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78897328
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55477021
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide
CID 86831167
2-cyclohexyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144509
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 126789735
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
(3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 94384104
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909597

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide (CID 112820092) is N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide is COc1ccccc1C(C)NC(=O)CN1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is CTRYNKIYIXXSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-17(19-10-6-7-11-20(19)29-2)23-21(27)16-25-12-14-26(15-13-25)22(28)24-18-8-4-3-5-9-18/h6-7,10-11,17-18H,3-5,8-9,12-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 112820092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).