(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C24H34N4O3 — CID 92503660

IUPAC(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESC[C@@H](C(=O)NCCCN1CCOCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H34N4O3/c1-18(23(29)25-9-4-10-27-13-15-31-16-14-27)19-7-11-28(12-8-19)24(30)22-17-20-5-2-3-6-21(20)26-22/h2-3,5-6,17-19,26H,4,7-16H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyDLFZZCICQRUSDU-GOSISDBHSA-N
MW426.56 g/mol
LogP2.49
Rot. Bonds7

About (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide

(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 92503660) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID92503660
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESC[C@@H](C(=O)NCCCN1CCOCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H34N4O3/c1-18(23(29)25-9-4-10-27-13-15-31-16-14-27)19-7-11-28(12-8-19)24(30)22-17-20-5-2-3-6-21(20)26-22/h2-3,5-6,17-19,26H,4,7-16H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyDLFZZCICQRUSDU-GOSISDBHSA-N
XLogP2.49
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503701
N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816867
(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076941
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 93077025
(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 94089259
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92765247
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 92503749
(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
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92879859
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 92503660) is (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide is C[C@@H](C(=O)NCCCN1CCOCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is DLFZZCICQRUSDU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-18(23(29)25-9-4-10-27-13-15-31-16-14-27)19-7-11-28(12-8-19)24(30)22-17-20-5-2-3-6-21(20)26-22/h2-3,5-6,17-19,26H,4,7-16H2,1H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 426.56 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 92503660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).