1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane

C28H47N3O3 — CID 143750165

IUPAC1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane
SMILESCCC.CCCOc1c(C(=O)N(C(C)C)[C@@H]2CCCNC2)n(CCCCOC)c2ccccc12
InChIInChI=1S/C25H39N3O3.C3H8/c1-5-16-31-24-21-12-6-7-13-22(21)27(15-8-9-17-30-4)23(24)25(29)28(19(2)3)20-11-10-14-26-18-20;1-3-2/h6-7,12-13,19-20,26H,5,8-11,14-18H2,1-4H3;3H2,1-2H3/t20-;/m1./s1
InChIKeyWFBHXNVPKGHADA-VEIFNGETSA-N
MW473.70 g/mol
LogP5.88
Rot. Bonds11

About 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane

1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane (PubChem CID 143750165) has the molecular formula C28H47N3O3 and a molecular weight of 473.70 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane.

Molecular Properties

Compound Name1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane
PubChem CID143750165
Molecular FormulaC28H47N3O3
Molecular Weight473.70 g/mol
Exact Mass473.36
IUPAC Name1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane
SMILESCCC.CCCOc1c(C(=O)N(C(C)C)[C@@H]2CCCNC2)n(CCCCOC)c2ccccc12
InChIInChI=1S/C25H39N3O3.C3H8/c1-5-16-31-24-21-12-6-7-13-22(21)27(15-8-9-17-30-4)23(24)25(29)28(19(2)3)20-11-10-14-26-18-20;1-3-2/h6-7,12-13,19-20,26H,5,8-11,14-18H2,1-4H3;3H2,1-2H3/t20-;/m1./s1
InChIKeyWFBHXNVPKGHADA-VEIFNGETSA-N
XLogP5.88
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.70
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybutyl)-3-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylindole-2-carboxamide;hydrochloride
CID 25176175
3-cyano-5-fluoro-1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylindole-2-carboxamide
CID 143750242
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143814264
4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59223919
5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride
CID 68662611
N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-(4,4,4-trifluorobutoxy)quinoline-2-carboxamide;dihydrochloride
CID 25115977
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24997196
4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 42634826
[4-(2-methoxyethoxy)-2-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]quinolin-8-yl] cyclopentanecarboxylate
CID 71609914
ethane;3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 143814335

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane?
The IUPAC name of 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane (CID 143750165) is 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane.
What is the SMILES notation for 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane?
The canonical SMILES for 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane is CCC.CCCOc1c(C(=O)N(C(C)C)[C@@H]2CCCNC2)n(CCCCOC)c2ccccc12.
What is the InChIKey of 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane?
The InChIKey is WFBHXNVPKGHADA-VEIFNGETSA-N. The full InChI is InChI=1S/C25H39N3O3.C3H8/c1-5-16-31-24-21-12-6-7-13-22(21)27(15-8-9-17-30-4)23(24)25(29)28(19(2)3)20-11-10-14-26-18-20;1-3-2/h6-7,12-13,19-20,26H,5,8-11,14-18H2,1-4H3;3H2,1-2H3/t20-;/m1./s1.
What are the key properties of 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane?
1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane has a molecular weight of 473.70 g/mol, XLogP of 5.88, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane is sourced from PubChem (CID 143750165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).