N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide

C21H31N3O3 — CID 97281101

IUPACN-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)N3CCCC3)C2)c(C)c1
InChIInChI=1S/C21H31N3O3/c1-16-14-18(27-2)8-9-19(16)22-20(25)10-7-17-6-5-13-24(15-17)21(26)23-11-3-4-12-23/h8-9,14,17H,3-7,10-13,15H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyLBJVULMVUWKPRP-KRWDZBQOSA-N
MW373.50 g/mol
LogP3.65
Rot. Bonds5

About N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide (PubChem CID 97281101) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
PubChem CID97281101
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)N3CCCC3)C2)c(C)c1
InChIInChI=1S/C21H31N3O3/c1-16-14-18(27-2)8-9-19(16)22-20(25)10-7-17-6-5-13-24(15-17)21(26)23-11-3-4-12-23/h8-9,14,17H,3-7,10-13,15H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyLBJVULMVUWKPRP-KRWDZBQOSA-N
XLogP3.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029
N-(4-methoxy-2-methylphenyl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 56709077
N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45200068
3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42195877
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 25301291
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
CID 26399957
3-[(3R)-1-[4-(4-fluorophenyl)butanoyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 25486755
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 26403321
3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42241549

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide (CID 97281101) is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide is COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)N3CCCC3)C2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is LBJVULMVUWKPRP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-14-18(27-2)8-9-19(16)22-20(25)10-7-17-6-5-13-24(15-17)21(26)23-11-3-4-12-23/h8-9,14,17H,3-7,10-13,15H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide?
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 373.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 97281101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).