(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide

C24H26BrN3O2 — CID 93076972

IUPAC(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@H](C(=O)NCc1cccc(Br)c1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H26BrN3O2/c1-16(23(29)26-15-17-5-4-7-20(25)13-17)18-9-11-28(12-10-18)24(30)22-14-19-6-2-3-8-21(19)27-22/h2-8,13-14,16,18,27H,9-12,15H2,1H3,(H,26,29)/t16-/m0/s1
InChIKeyDGLHLVWJKUKNKM-INIZCTEOSA-N
MW468.40 g/mol
LogP4.74
Rot. Bonds5

About (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide

(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 93076972) has the molecular formula C24H26BrN3O2 and a molecular weight of 468.40 g/mol. Its IUPAC name is (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID93076972
Molecular FormulaC24H26BrN3O2
Molecular Weight468.40 g/mol
Exact Mass467.12
IUPAC Name(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@H](C(=O)NCc1cccc(Br)c1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H26BrN3O2/c1-16(23(29)26-15-17-5-4-7-20(25)13-17)18-9-11-28(12-10-18)24(30)22-14-19-6-2-3-8-21(19)27-22/h2-8,13-14,16,18,27H,9-12,15H2,1H3,(H,26,29)/t16-/m0/s1
InChIKeyDGLHLVWJKUKNKM-INIZCTEOSA-N
XLogP4.74
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[(4-ethoxyphenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816968
N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816867
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 46376376
(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076941
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503661
(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503660
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895156
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895153
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 50816860
N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 50816811

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide (CID 93076972) is (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide is C[C@H](C(=O)NCc1cccc(Br)c1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is DGLHLVWJKUKNKM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26BrN3O2/c1-16(23(29)26-15-17-5-4-7-20(25)13-17)18-9-11-28(12-10-18)24(30)22-14-19-6-2-3-8-21(19)27-22/h2-8,13-14,16,18,27H,9-12,15H2,1H3,(H,26,29)/t16-/m0/s1.
What are the key properties of (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 468.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 93076972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).