methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate

C18H25N3O3 — CID 95171492

IUPACmethyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)N(C)[C@@H]2CCc3ccccc32)CC1
InChIInChI=1S/C18H25N3O3/c1-20(16-8-7-13-5-3-4-6-15(13)16)17(22)19-14-9-11-21(12-10-14)18(23)24-2/h3-6,14,16H,7-12H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyAPDLECMORDDKIV-MRXNPFEDSA-N
MW331.42 g/mol
LogP2.55
Rot. Bonds2

About methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate

methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate (PubChem CID 95171492) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate
PubChem CID95171492
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Namemethyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)N(C)[C@@H]2CCc3ccccc32)CC1
InChIInChI=1S/C18H25N3O3/c1-20(16-8-7-13-5-3-4-6-15(13)16)17(22)19-14-9-11-21(12-10-14)18(23)24-2/h3-6,14,16H,7-12H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyAPDLECMORDDKIV-MRXNPFEDSA-N
XLogP2.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

3-(2-adamantyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-methylurea
CID 112832098
tert-butyl 4-[2,3-dihydro-1H-inden-1-yl(methyl)carbamoyl]piperidine-1-carboxylate
CID 42941581
N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide
CID 94577269
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
CID 47236430
ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
CID 99939190
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
N-(2,3-dihydro-1H-inden-1-yl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79195999
N-(cyclopropylcarbamoyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260523
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate (CID 95171492) is methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)N(C)[C@@H]2CCc3ccccc32)CC1.
What is the InChIKey of methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate?
The InChIKey is APDLECMORDDKIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(16-8-7-13-5-3-4-6-15(13)16)17(22)19-14-9-11-21(12-10-14)18(23)24-2/h3-6,14,16H,7-12H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate?
methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 95171492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).