(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C20H26N4O2 — CID 9446137

IUPAC(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O2/c1-15-7-8-18(26-3)17(14-15)22-20(25)16(2)23-10-12-24(13-11-23)19-6-4-5-9-21-19/h4-9,14,16H,10-13H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyQITCSMAPFGCWNH-MRXNPFEDSA-N
MW354.45 g/mol
LogP2.55
Rot. Bonds5

About (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 9446137) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID9446137
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O2/c1-15-7-8-18(26-3)17(14-15)22-20(25)16(2)23-10-12-24(13-11-23)19-6-4-5-9-21-19/h4-9,14,16H,10-13H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyQITCSMAPFGCWNH-MRXNPFEDSA-N
XLogP2.55
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17447434
N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4876524
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9432648
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
N-[4-(hydroxyamino)-2-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 134593260
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
(2R)-N-(2,5-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446163
(2R)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724673
(2S)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8997506
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-N-(2,5-dimethoxyphenyl)propanamide
CID 60593128

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 9446137) is (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is QITCSMAPFGCWNH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-7-8-18(26-3)17(14-15)22-20(25)16(2)23-10-12-24(13-11-23)19-6-4-5-9-21-19/h4-9,14,16H,10-13H2,1-3H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9446137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).