N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide

C18H25N3O2 — CID 119778849

IUPACN-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCc2c[nH]c3ccccc23)CCNCC1
InChIInChI=1S/C18H25N3O2/c1-23-18(8-11-19-12-9-18)17(22)20-10-4-5-14-13-21-16-7-3-2-6-15(14)16/h2-3,6-7,13,19,21H,4-5,8-12H2,1H3,(H,20,22)
InChIKeyRRFLJXQSBJBZAW-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.99
Rot. Bonds6

About N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide

N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119778849) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119778849
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCc2c[nH]c3ccccc23)CCNCC1
InChIInChI=1S/C18H25N3O2/c1-23-18(8-11-19-12-9-18)17(22)20-10-4-5-14-13-21-16-7-3-2-6-15(14)16/h2-3,6-7,13,19,21H,4-5,8-12H2,1H3,(H,20,22)
InChIKeyRRFLJXQSBJBZAW-UHFFFAOYSA-N
XLogP1.99
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
CID 154895653
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119320799
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761974
(1S,6S)-N-[2-(1H-indol-3-yl)ethyl]-3-azabicyclo[4.1.0]heptane-6-carboxamide
CID 98783268
N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119734944
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-[3-(1H-indol-3-yl)propyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167845719

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide (CID 119778849) is N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCCc2c[nH]c3ccccc23)CCNCC1.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is RRFLJXQSBJBZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-23-18(8-11-19-12-9-18)17(22)20-10-4-5-14-13-21-16-7-3-2-6-15(14)16/h2-3,6-7,13,19,21H,4-5,8-12H2,1H3,(H,20,22).
What are the key properties of N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119778849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).