4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide

C21H28N4O2 — CID 124608403

IUPAC4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C21H28N4O2/c1-2-20(18-8-10-22-11-9-18)23-21(26)25-14-12-24(13-15-25)16-17-27-19-6-4-3-5-7-19/h3-11,20H,2,12-17H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyLAUMWZKZUZTTDH-FQEVSTJZSA-N
MW368.48 g/mol
LogP2.94
Rot. Bonds7

About 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide

4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide (PubChem CID 124608403) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
PubChem CID124608403
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C21H28N4O2/c1-2-20(18-8-10-22-11-9-18)23-21(26)25-14-12-24(13-15-25)16-17-27-19-6-4-3-5-7-19/h3-11,20H,2,12-17H2,1H3,(H,23,26)/t20-/m0/s1
InChIKeyLAUMWZKZUZTTDH-FQEVSTJZSA-N
XLogP2.94
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124505398
N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113104323
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 87000126
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70781977
(2R)-2-benzyl-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 97337265
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 126784853
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 27846376
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
CID 91788757
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide (CID 124608403) is 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide is CC[C@H](NC(=O)N1CCN(CCOc2ccccc2)CC1)c1ccncc1.
What is the InChIKey of 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide?
The InChIKey is LAUMWZKZUZTTDH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-20(18-8-10-22-11-9-18)23-21(26)25-14-12-24(13-15-25)16-17-27-19-6-4-3-5-7-19/h3-11,20H,2,12-17H2,1H3,(H,23,26)/t20-/m0/s1.
What are the key properties of 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide?
4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide is sourced from PubChem (CID 124608403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).