(3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide

C23H25N3O4 — CID 41129492

IUPAC(3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(OC)c1
InChIInChI=1S/C23H25N3O4/c1-29-19-11-18(12-20(13-19)30-2)25-22(27)17-4-3-9-26(14-17)23(28)16-5-6-21-15(10-16)7-8-24-21/h5-8,10-13,17,24H,3-4,9,14H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyFWLLYEJYJLDMAZ-KRWDZBQOSA-N
MW407.47 g/mol
LogP3.68
Rot. Bonds5

About (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide

(3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 41129492) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
PubChem CID41129492
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(OC)c1
InChIInChI=1S/C23H25N3O4/c1-29-19-11-18(12-20(13-19)30-2)25-22(27)17-4-3-9-26(14-17)23(28)16-5-6-21-15(10-16)7-8-24-21/h5-8,10-13,17,24H,3-4,9,14H2,1-2H3,(H,25,27)/t17-/m0/s1
InChIKeyFWLLYEJYJLDMAZ-KRWDZBQOSA-N
XLogP3.68
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-acetamidophenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 41087933
N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 42650295
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
(3R)-N-(3-fluorophenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 41091330
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
N-[(3,4-dichlorophenyl)methyl]-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 42650272
1-(3,5-dimethoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 17300942
N-(3,5-dimethoxyphenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903559
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 51128572

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide (CID 41129492) is (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide is COc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(OC)c1.
What is the InChIKey of (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is FWLLYEJYJLDMAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-19-11-18(12-20(13-19)30-2)25-22(27)17-4-3-9-26(14-17)23(28)16-5-6-21-15(10-16)7-8-24-21/h5-8,10-13,17,24H,3-4,9,14H2,1-2H3,(H,25,27)/t17-/m0/s1.
What are the key properties of (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide?
(3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 41129492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).