N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C22H28N4O2 — CID 120755033

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(CN(C(=O)CN2CCNCC2c2cccnc2)C2CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-28-20-8-4-17(5-9-20)15-26(19-6-7-19)22(27)16-25-12-11-24-14-21(25)18-3-2-10-23-13-18/h2-5,8-10,13,19,21,24H,6-7,11-12,14-16H2,1H3
InChIKeyDTFKMNHYEUBVDK-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.23
Rot. Bonds7

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120755033) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120755033
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(CN(C(=O)CN2CCNCC2c2cccnc2)C2CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-28-20-8-4-17(5-9-20)15-26(19-6-7-19)22(27)16-25-12-11-24-14-21(25)18-3-2-10-23-13-18/h2-5,8-10,13,19,21,24H,6-7,11-12,14-16H2,1H3
InChIKeyDTFKMNHYEUBVDK-UHFFFAOYSA-N
XLogP2.23
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
N-methyl-N-(4-methylcyclohexyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754378
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754529
N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755324
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754631
N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756533
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 125001743
N-(2-methoxyphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754525

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120755033) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is COc1ccc(CN(C(=O)CN2CCNCC2c2cccnc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is DTFKMNHYEUBVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-20-8-4-17(5-9-20)15-26(19-6-7-19)22(27)16-25-12-11-24-14-21(25)18-3-2-10-23-13-18/h2-5,8-10,13,19,21,24H,6-7,11-12,14-16H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120755033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).