N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide

C19H23ClN4O2 — CID 60543780

IUPACN-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccc(Cl)nc2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-2-26-17-6-4-3-5-16(17)23-9-11-24(12-10-23)19(25)22-14-15-7-8-18(20)21-13-15/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyJRYUMUDFFKXHKI-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.17
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide

N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 60543780) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID60543780
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCc2ccc(Cl)nc2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-2-26-17-6-4-3-5-16(17)23-9-11-24(12-10-23)19(25)22-14-15-7-8-18(20)21-13-15/h3-8,13H,2,9-12,14H2,1H3,(H,22,25)
InChIKeyJRYUMUDFFKXHKI-UHFFFAOYSA-N
XLogP3.17
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 119071790
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 30691880
4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814
4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 60542874
4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 119074163
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
4-(2-ethoxyphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide
CID 154737898
N-(4-chloro-2-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113207
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107948

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide (CID 60543780) is N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NCc2ccc(Cl)nc2)CC1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is JRYUMUDFFKXHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-2-26-17-6-4-3-5-16(17)23-9-11-24(12-10-23)19(25)22-14-15-7-8-18(20)21-13-15/h3-8,13H,2,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide?
N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 60543780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).