N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide

C24H27N3O2 — CID 52538400

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C24H27N3O2/c28-24(26-21-11-14-29-23-8-4-2-6-19(21)23)16-27-12-9-17(10-13-27)22-15-18-5-1-3-7-20(18)25-22/h1-8,15,17,21,25H,9-14,16H2,(H,26,28)/t21-/m0/s1
InChIKeyAEWJMRWJQYXZPG-NRFANRHFSA-N
MW389.50 g/mol
LogP3.99
Rot. Bonds4

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide (PubChem CID 52538400) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide
PubChem CID52538400
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C24H27N3O2/c28-24(26-21-11-14-29-23-8-4-2-6-19(21)23)16-27-12-9-17(10-13-27)22-15-18-5-1-3-7-20(18)25-22/h1-8,15,17,21,25H,9-14,16H2,(H,26,28)/t21-/m0/s1
InChIKeyAEWJMRWJQYXZPG-NRFANRHFSA-N
XLogP3.99
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide;hydrochloride
CID 119907719
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
CID 9159432
2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51097289
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 30803635
2-(4-aminopiperidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
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N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
CID 18115215
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 8927965
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86919603
2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18193012
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide
CID 97090833
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)acetamide
CID 97090832

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide (CID 52538400) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)N[C@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is AEWJMRWJQYXZPG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-24(26-21-11-14-29-23-8-4-2-6-19(21)23)16-27-12-9-17(10-13-27)22-15-18-5-1-3-7-20(18)25-22/h1-8,15,17,21,25H,9-14,16H2,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 52538400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).