4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide

C19H23ClN4O2 — CID 126794330

IUPAC4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide
SMILESCOCCc1ccccc1NC(=O)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C19H23ClN4O2/c1-26-13-7-15-4-2-3-5-17(15)22-19(25)24-11-9-23(10-12-24)18-6-8-21-14-16(18)20/h2-6,8,14H,7,9-13H2,1H3,(H,22,25)
InChIKeyBNFOLSMYTGJAJU-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.28
Rot. Bonds5

About 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide

4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide (PubChem CID 126794330) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide
PubChem CID126794330
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide
SMILESCOCCc1ccccc1NC(=O)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C19H23ClN4O2/c1-26-13-7-15-4-2-3-5-17(15)22-19(25)24-11-9-23(10-12-24)18-6-8-21-14-16(18)20/h2-6,8,14H,7,9-13H2,1H3,(H,22,25)
InChIKeyBNFOLSMYTGJAJU-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 75507946
N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline
CID 102905183
N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide
CID 125164251
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133335378
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 46182544
4-(3-chloro-4-pyridinyl)-N-(6-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 126774893
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758
4-(4-acetylphenyl)-N-[2-(methoxymethyl)phenyl]piperazine-1-carboxamide
CID 51115588
1-(2-chlorophenyl)-4-(3-chloro-4-pyridinyl)piperazine
CID 133352048

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide (CID 126794330) is 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide is COCCc1ccccc1NC(=O)N1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is BNFOLSMYTGJAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-26-13-7-15-4-2-3-5-17(15)22-19(25)24-11-9-23(10-12-24)18-6-8-21-14-16(18)20/h2-6,8,14H,7,9-13H2,1H3,(H,22,25).
What are the key properties of 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide?
4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 126794330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).