N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide

C21H31N3O2 — CID 95874159

IUPACN-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H31N3O2/c1-15(2)21(26)22-13-20(25)23(3)18-9-6-10-24(14-18)19-11-16-7-4-5-8-17(16)12-19/h4-5,7-8,15,18-19H,6,9-14H2,1-3H3,(H,22,26)/t18-/m0/s1
InChIKeyAVGCFVHIKRLHMI-SFHVURJKSA-N
MW357.50 g/mol
LogP1.85
Rot. Bonds5

About N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide

N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 95874159) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide
PubChem CID95874159
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H31N3O2/c1-15(2)21(26)22-13-20(25)23(3)18-9-6-10-24(14-18)19-11-16-7-4-5-8-17(16)12-19/h4-5,7-8,15,18-19H,6,9-14H2,1-3H3,(H,22,26)/t18-/m0/s1
InChIKeyAVGCFVHIKRLHMI-SFHVURJKSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide
CID 95715305
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide
CID 26326531
1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
CID 95724999
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 45197169
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxochromene-2-carboxamide
CID 42509695
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-ethenyl-N-methylbenzamide
CID 42214630
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 42594380
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 45200689
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 42344868
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45212790
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 25310154
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1,3-benzothiazole-5-carboxamide
CID 56853456

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide (CID 95874159) is N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)NCC(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is AVGCFVHIKRLHMI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15(2)21(26)22-13-20(25)23(3)18-9-6-10-24(14-18)19-11-16-7-4-5-8-17(16)12-19/h4-5,7-8,15,18-19H,6,9-14H2,1-3H3,(H,22,26)/t18-/m0/s1.
What are the key properties of N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide?
N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 357.50 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 95874159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).