(2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide

C20H28N4O — CID 125175137

IUPAC(2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)N2CCC(CCn3cccn3)CC2)c1
InChIInChI=1S/C20H28N4O/c1-16-5-3-6-19(15-16)22-20(25)17(2)23-12-7-18(8-13-23)9-14-24-11-4-10-21-24/h3-6,10-11,15,17-18H,7-9,12-14H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyIABLQYQTRRLLPN-QGZVFWFLSA-N
MW340.47 g/mol
LogP3.32
Rot. Bonds6

About (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide

(2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide (PubChem CID 125175137) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
PubChem CID125175137
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)N2CCC(CCn3cccn3)CC2)c1
InChIInChI=1S/C20H28N4O/c1-16-5-3-6-19(15-16)22-20(25)17(2)23-12-7-18(8-13-23)9-14-24-11-4-10-21-24/h3-6,10-11,15,17-18H,7-9,12-14H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyIABLQYQTRRLLPN-QGZVFWFLSA-N
XLogP3.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
CID 125172810
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55865284
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 136524069
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55482564
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-methylphenyl)propanamide
CID 55506004
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 16782680
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-nitrophenyl)propanamide
CID 60510193
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide (CID 125175137) is (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide is Cc1cccc(NC(=O)[C@@H](C)N2CCC(CCn3cccn3)CC2)c1.
What is the InChIKey of (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide?
The InChIKey is IABLQYQTRRLLPN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-5-3-6-19(15-16)22-20(25)17(2)23-12-7-18(8-13-23)9-14-24-11-4-10-21-24/h3-6,10-11,15,17-18H,7-9,12-14H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide?
(2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 125175137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).