(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide

C26H37ClN4O2 — CID 94089259

IUPAC(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)NCCCN1CCCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C26H37ClN4O2/c1-19(25(32)28-11-6-14-30-12-4-2-3-5-13-30)20-9-15-31(16-10-20)26(33)24-18-21-17-22(27)7-8-23(21)29-24/h7-8,17-20,29H,2-6,9-16H2,1H3,(H,28,32)/t19-/m1/s1
InChIKeyIDQLWDOVMXWEKU-LJQANCHMSA-N
MW473.06 g/mol
LogP4.69
Rot. Bonds7

About (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide

(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 94089259) has the molecular formula C26H37ClN4O2 and a molecular weight of 473.06 g/mol. Its IUPAC name is (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID94089259
Molecular FormulaC26H37ClN4O2
Molecular Weight473.06 g/mol
Exact Mass472.26
IUPAC Name(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)NCCCN1CCCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C26H37ClN4O2/c1-19(25(32)28-11-6-14-30-12-4-2-3-5-13-30)20-9-15-31(16-10-20)26(33)24-18-21-17-22(27)7-8-23(21)29-24/h7-8,17-20,29H,2-6,9-16H2,1H3,(H,28,32)/t19-/m1/s1
InChIKeyIDQLWDOVMXWEKU-LJQANCHMSA-N
XLogP4.69
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.06
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 93061049
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 92879920
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 93077025
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 93077018
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(3R)-3-pyrrolidin-1-ylbutyl]propanamide
CID 93077045
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(3R)-3-pyrrolidin-1-ylbutyl]propanamide
CID 93077047
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide
CID 93061052
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 93077007
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 92503749
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 46376376
(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503660
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 50816860

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide (CID 94089259) is (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide is C[C@@H](C(=O)NCCCN1CCCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is IDQLWDOVMXWEKU-LJQANCHMSA-N. The full InChI is InChI=1S/C26H37ClN4O2/c1-19(25(32)28-11-6-14-30-12-4-2-3-5-13-30)20-9-15-31(16-10-20)26(33)24-18-21-17-22(27)7-8-23(21)29-24/h7-8,17-20,29H,2-6,9-16H2,1H3,(H,28,32)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 473.06 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 94089259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).