N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide

C21H26N4O2 — CID 97441841

IUPACN,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C
InChIInChI=1S/C21H26N4O2/c1-14-9-7-8-12-24(14)20(26)18-13-17-19(25(18)21(27)22(2)3)15-10-5-6-11-16(15)23(17)4/h5-6,10-11,13-14H,7-9,12H2,1-4H3/t14-/m1/s1
InChIKeyOVPUFWYXYWVOLN-CQSZACIVSA-N
MW366.47 g/mol
LogP3.68
Rot. Bonds1

About N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide

N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide (PubChem CID 97441841) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide
PubChem CID97441841
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C
InChIInChI=1S/C21H26N4O2/c1-14-9-7-8-12-24(14)20(26)18-13-17-19(25(18)21(27)22(2)3)15-10-5-6-11-16(15)23(17)4/h5-6,10-11,13-14H,7-9,12H2,1-4H3/t14-/m1/s1
InChIKeyOVPUFWYXYWVOLN-CQSZACIVSA-N
XLogP3.68
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,4-trimethyl-2-(2-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
CID 131643767
(4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 131654461
(1-methyl-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 134075238
1-N,1-N,4-trimethyl-2-N-propan-2-ylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97441822
1-N,1-N,4-trimethyl-2-N-(oxolan-2-ylmethyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 131659664
1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 134079752
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97442031
(1-ethyl-3-methylindol-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 110498748
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide (CID 97441841) is N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide is C[C@@H]1CCCCN1C(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide?
The InChIKey is OVPUFWYXYWVOLN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-9-7-8-12-24(14)20(26)18-13-17-19(25(18)21(27)22(2)3)15-10-5-6-11-16(15)23(17)4/h5-6,10-11,13-14H,7-9,12H2,1-4H3/t14-/m1/s1.
What are the key properties of N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide?
N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolo[3,2-b]indole-1-carboxamide is sourced from PubChem (CID 97441841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).