N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide

C21H31N3O3 — CID 119750611

IUPACN-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCc1c(NC(=O)CC(C)C2CCCNC2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-15(17-5-4-8-22-14-17)13-20(25)23-19-7-3-6-18(16(19)2)21(26)24-9-11-27-12-10-24/h3,6-7,15,17,22H,4-5,8-14H2,1-2H3,(H,23,25)
InChIKeyNRIZNLJNOGMCBH-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.43
Rot. Bonds5

About N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide

N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119750611) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119750611
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCc1c(NC(=O)CC(C)C2CCCNC2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-15(17-5-4-8-22-14-17)13-20(25)23-19-7-3-6-18(16(19)2)21(26)24-9-11-27-12-10-24/h3,6-7,15,17,22H,4-5,8-14H2,1-2H3,(H,23,25)
InChIKeyNRIZNLJNOGMCBH-UHFFFAOYSA-N
XLogP2.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]-3-piperidin-3-ylbutanamide
CID 119798926
N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119878401
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119671508
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide (CID 119750611) is N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide is Cc1c(NC(=O)CC(C)C2CCCNC2)cccc1C(=O)N1CCOCC1.
What is the InChIKey of N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is NRIZNLJNOGMCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(17-5-4-8-22-14-17)13-20(25)23-19-7-3-6-18(16(19)2)21(26)24-9-11-27-12-10-24/h3,6-7,15,17,22H,4-5,8-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide?
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 373.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119750611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).