N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide

C21H29N3O2 — CID 50816867

IUPACN-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESCCCCNC(=O)C(C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H29N3O2/c1-3-4-11-22-20(25)15(2)16-9-12-24(13-10-16)21(26)19-14-17-7-5-6-8-18(17)23-19/h5-8,14-16,23H,3-4,9-13H2,1-2H3,(H,22,25)
InChIKeyLGSINRDQRGUPHT-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.57
Rot. Bonds6

About N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide

N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 50816867) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID50816867
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESCCCCNC(=O)C(C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H29N3O2/c1-3-4-11-22-20(25)15(2)16-9-12-24(13-10-16)21(26)19-14-17-7-5-6-8-18(17)23-19/h5-8,14-16,23H,3-4,9-13H2,1-2H3,(H,22,25)
InChIKeyLGSINRDQRGUPHT-UHFFFAOYSA-N
XLogP3.57
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076941
(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503660
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503661
(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076972
N-[(4-ethoxyphenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816968
2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 50816866
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92879859
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 93077018
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 46376376
(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 94089259
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 93077007

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide (CID 50816867) is N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide is CCCCNC(=O)C(C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is LGSINRDQRGUPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-4-11-22-20(25)15(2)16-9-12-24(13-10-16)21(26)19-14-17-7-5-6-8-18(17)23-19/h5-8,14-16,23H,3-4,9-13H2,1-2H3,(H,22,25).
What are the key properties of N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 50816867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).