N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C22H31N3O3 — CID 55677137

IUPACN-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CCNC(=O)C2CC2C)C1
InChIInChI=1S/C22H31N3O3/c1-14-10-15(2)13-25(12-14)22(28)17-6-4-5-7-19(17)24-20(26)8-9-23-21(27)18-11-16(18)3/h4-7,14-16,18H,8-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyLJAJYSFEAULWPD-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.91
Rot. Bonds6

About N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 55677137) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID55677137
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CCNC(=O)C2CC2C)C1
InChIInChI=1S/C22H31N3O3/c1-14-10-15(2)13-25(12-14)22(28)17-6-4-5-7-19(17)24-20(26)8-9-23-21(27)18-11-16(18)3/h4-7,14-16,18H,8-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyLJAJYSFEAULWPD-UHFFFAOYSA-N
XLogP2.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]cyclopropane-1-carboxamide
CID 55669259
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-nitroanilino)propanamide
CID 46442916
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide
CID 60621736
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51942966
3-acetamido-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55677286
N'-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-[2-(N-methylanilino)ethyl]oxamide
CID 78882681
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119717968
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide
CID 60553577
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119717975

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 55677137) is N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)CCNC(=O)C2CC2C)C1.
What is the InChIKey of N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is LJAJYSFEAULWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-14-10-15(2)13-25(12-14)22(28)17-6-4-5-7-19(17)24-20(26)8-9-23-21(27)18-11-16(18)3/h4-7,14-16,18H,8-13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55677137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).