N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide

C20H29N3O2 — CID 95715305

IUPACN'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C20H29N3O2/c1-14(2)21-19(24)20(25)22(3)17-9-6-10-23(13-17)18-11-15-7-4-5-8-16(15)12-18/h4-5,7-8,14,17-18H,6,9-13H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeySBBIVYMCUFOGKB-KRWDZBQOSA-N
MW343.47 g/mol
LogP1.60
Rot. Bonds3

About N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide

N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide (PubChem CID 95715305) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide
PubChem CID95715305
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C20H29N3O2/c1-14(2)21-19(24)20(25)22(3)17-9-6-10-23(13-17)18-11-15-7-4-5-8-16(15)12-18/h4-5,7-8,14,17-18H,6,9-13H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeySBBIVYMCUFOGKB-KRWDZBQOSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-methylamino]-2-oxoethyl]-2-methylpropanamide
CID 95874159
1-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1-methyl-3-phenylurea
CID 95724999
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4-phenylbutanamide
CID 26326531
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-ethenyl-N-methylbenzamide
CID 42214630
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-[(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-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45212790
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 42344868
N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 25310154
(E)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 25385169
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 45200689

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide?
The IUPAC name of N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide (CID 95715305) is N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide?
The canonical SMILES for N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide is CC(C)NC(=O)C(=O)N(C)[C@H]1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide?
The InChIKey is SBBIVYMCUFOGKB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)21-19(24)20(25)22(3)17-9-6-10-23(13-17)18-11-15-7-4-5-8-16(15)12-18/h4-5,7-8,14,17-18H,6,9-13H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide?
N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide has a molecular weight of 343.47 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N'-methyl-N-propan-2-yloxamide is sourced from PubChem (CID 95715305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).