N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide

C14H21N3O3 — CID 110086678

IUPACN-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCNC(C(=O)NCCO)C2)cc1
InChIInChI=1S/C14H21N3O3/c1-20-12-4-2-11(3-5-12)17-8-6-15-13(10-17)14(19)16-7-9-18/h2-5,13,15,18H,6-10H2,1H3,(H,16,19)
InChIKeyBNFPNLBHYJZNTQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.42
Rot. Bonds5

About N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide

N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide (PubChem CID 110086678) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
PubChem CID110086678
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCNC(C(=O)NCCO)C2)cc1
InChIInChI=1S/C14H21N3O3/c1-20-12-4-2-11(3-5-12)17-8-6-15-13(10-17)14(19)16-7-9-18/h2-5,13,15,18H,6-10H2,1H3,(H,16,19)
InChIKeyBNFPNLBHYJZNTQ-UHFFFAOYSA-N
XLogP-0.42
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 110086699
(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide
CID 124977181
(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 125018385
N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086728
(2R)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 124984923
(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone
CID 124983561
4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
CID 110086689
(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125009047
4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide
CID 127244523
4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 110086674
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
3-benzyl-1-(4-methoxyphenyl)piperazine
CID 54503810

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide (CID 110086678) is N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide is COc1ccc(N2CCNC(C(=O)NCCO)C2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide?
The InChIKey is BNFPNLBHYJZNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-12-4-2-11(3-5-12)17-8-6-15-13(10-17)14(19)16-7-9-18/h2-5,13,15,18H,6-10H2,1H3,(H,16,19).
What are the key properties of N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide?
N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).