(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide

C22H25N5O4 — CID 29105209

IUPAC(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)c2c1
InChIInChI=1S/C22H25N5O4/c1-31-18-5-6-20-19(11-18)15(12-24-20)8-9-23-22(28)16-3-2-10-26(14-16)21-7-4-17(13-25-21)27(29)30/h4-7,11-13,16,24H,2-3,8-10,14H2,1H3,(H,23,28)/t16-/m1/s1
InChIKeyJIFOBROUSVQOFY-MRXNPFEDSA-N
MW423.47 g/mol
LogP3.06
Rot. Bonds7

About (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide

(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 29105209) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID29105209
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)c2c1
InChIInChI=1S/C22H25N5O4/c1-31-18-5-6-20-19(11-18)15(12-24-20)8-9-23-22(28)16-3-2-10-26(14-16)21-7-4-17(13-25-21)27(29)30/h4-7,11-13,16,24H,2-3,8-10,14H2,1H3,(H,23,28)/t16-/m1/s1
InChIKeyJIFOBROUSVQOFY-MRXNPFEDSA-N
XLogP3.06
TPSA113.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-(6-chloropyridazin-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96556893
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 71706139
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53009996
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72928968
(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 93076085
(3R)-1-(6-chloropyridazin-3-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557184
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanone
CID 29105052
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30354211
(3R)-1-(5-nitro-2-pyridinyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 29105207
(3S)-1-(6-cyclopropylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 99873101
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952057
(3S)-N-(4-bromophenyl)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 29105857

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide (CID 29105209) is (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide is COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)c2c1.
What is the InChIKey of (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is JIFOBROUSVQOFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-31-18-5-6-20-19(11-18)15(12-24-20)8-9-23-22(28)16-3-2-10-26(14-16)21-7-4-17(13-25-21)27(29)30/h4-7,11-13,16,24H,2-3,8-10,14H2,1H3,(H,23,28)/t16-/m1/s1.
What are the key properties of (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide?
(3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 29105209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).