(7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate

C17H21N3O3 — CID 140777261

IUPAC(7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate
SMILESCc1[nH]c2c(C(N)=O)ccc(OC(=O)N3CCCCC3)c2c1C
InChIInChI=1S/C17H21N3O3/c1-10-11(2)19-15-12(16(18)21)6-7-13(14(10)15)23-17(22)20-8-4-3-5-9-20/h6-7,19H,3-5,8-9H2,1-2H3,(H2,18,21)
InChIKeyQCHFGUYOKUMQIB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.87
Rot. Bonds2

About (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate

(7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate (PubChem CID 140777261) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate
PubChem CID140777261
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate
SMILESCc1[nH]c2c(C(N)=O)ccc(OC(=O)N3CCCCC3)c2c1C
InChIInChI=1S/C17H21N3O3/c1-10-11(2)19-15-12(16(18)21)6-7-13(14(10)15)23-17(22)20-8-4-3-5-9-20/h6-7,19H,3-5,8-9H2,1-2H3,(H2,18,21)
InChIKeyQCHFGUYOKUMQIB-UHFFFAOYSA-N
XLogP2.87
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide
CID 121293914
2,3-dimethyl-4-[(1-prop-2-ynoylpiperidin-4-yl)amino]-1H-indole-7-carboxamide
CID 121294051
2,3-dimethyl-4-[(1-prop-2-ynoylpyrrolidin-3-yl)amino]-1H-indole-7-carboxamide
CID 121293853
2,3-dimethyl-4-[3-(prop-2-ynoylamino)piperidin-1-yl]-1H-indole-7-carboxamide
CID 121294025
2,3-dimethyl-4-[[(3R)-pyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121293848
4-[3-(methanesulfonamido)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 130416260
ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
CID 142555031
2,3-dimethyl-4-[3-(prop-2-ynoylamino)pyrrolidin-1-yl]-1H-indole-7-carboxamide
CID 121294036
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
2,3-dimethylbenzamide;piperidine-1-carboxylic acid
CID 174249980
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
CID 170622073

Frequently Asked Questions

What is the IUPAC name of (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate?
The IUPAC name of (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate (CID 140777261) is (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate.
What is the SMILES notation for (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate?
The canonical SMILES for (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate is Cc1[nH]c2c(C(N)=O)ccc(OC(=O)N3CCCCC3)c2c1C.
What is the InChIKey of (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate?
The InChIKey is QCHFGUYOKUMQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-11(2)19-15-12(16(18)21)6-7-13(14(10)15)23-17(22)20-8-4-3-5-9-20/h6-7,19H,3-5,8-9H2,1-2H3,(H2,18,21).
What are the key properties of (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate?
(7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-carbamoyl-2,3-dimethyl-1H-indol-4-yl) piperidine-1-carboxylate is sourced from PubChem (CID 140777261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).