N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

C22H27N3O2 — CID 56744582

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1[nH]c2ccc(CNC(=O)C3CCCN(Cc4ccco4)C3)cc2c1C
InChIInChI=1S/C22H27N3O2/c1-15-16(2)24-21-8-7-17(11-20(15)21)12-23-22(26)18-5-3-9-25(13-18)14-19-6-4-10-27-19/h4,6-8,10-11,18,24H,3,5,9,12-14H2,1-2H3,(H,23,26)
InChIKeyRTINQJWUDLQRCB-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.91
Rot. Bonds5

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 56744582) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID56744582
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1[nH]c2ccc(CNC(=O)C3CCCN(Cc4ccco4)C3)cc2c1C
InChIInChI=1S/C22H27N3O2/c1-15-16(2)24-21-8-7-17(11-20(15)21)12-23-22(26)18-5-3-9-25(13-18)14-19-6-4-10-27-19/h4,6-8,10-11,18,24H,3,5,9,12-14H2,1-2H3,(H,23,26)
InChIKeyRTINQJWUDLQRCB-UHFFFAOYSA-N
XLogP3.91
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 95237254
1-(furan-2-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 72886430
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 157019045
(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97284250
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97210781
(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide
CID 95563364
(3S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97283477
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 72899598
(3R)-1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 97279288
9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987588

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 56744582) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is Cc1[nH]c2ccc(CNC(=O)C3CCCN(Cc4ccco4)C3)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is RTINQJWUDLQRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-16(2)24-21-8-7-17(11-20(15)21)12-23-22(26)18-5-3-9-25(13-18)14-19-6-4-10-27-19/h4,6-8,10-11,18,24H,3,5,9,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56744582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).