N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

C21H28N4O2 — CID 126437647

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESCOc1cc2c(cc1CNC(=O)Cn1nccc1[C@H]1CCCNC1)CCC2
InChIInChI=1S/C21H28N4O2/c1-27-20-11-16-5-2-4-15(16)10-18(20)13-23-21(26)14-25-19(7-9-24-25)17-6-3-8-22-12-17/h7,9-11,17,22H,2-6,8,12-14H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyAWOFPWXEDRHEGJ-KRWDZBQOSA-N
MW368.48 g/mol
LogP2.16
Rot. Bonds6

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126437647) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126437647
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESCOc1cc2c(cc1CNC(=O)Cn1nccc1[C@H]1CCCNC1)CCC2
InChIInChI=1S/C21H28N4O2/c1-27-20-11-16-5-2-4-15(16)10-18(20)13-23-21(26)14-25-19(7-9-24-25)17-6-3-8-22-12-17/h7,9-11,17,22H,2-6,8,12-14H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyAWOFPWXEDRHEGJ-KRWDZBQOSA-N
XLogP2.16
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452488
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126430454
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126443982
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126449343
N-(2-piperidin-1-ylethyl)-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119074986
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126439940
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448514
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428114
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428113
2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 154905968
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 154905162
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126446453

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126437647) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is COc1cc2c(cc1CNC(=O)Cn1nccc1[C@H]1CCCNC1)CCC2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is AWOFPWXEDRHEGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-20-11-16-5-2-4-15(16)10-18(20)13-23-21(26)14-25-19(7-9-24-25)17-6-3-8-22-12-17/h7,9-11,17,22H,2-6,8,12-14H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126437647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).