2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

C29H36N4O2 — CID 142594148

IUPAC2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1nc2cc(-c3[nH]c4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4c3C(C)C)cc(C)c2o1
InChIInChI=1S/C29H36N4O2/c1-17(2)27-23-14-21(20-9-11-33(12-10-20)16-26(34)32(5)6)7-8-24(23)31-28(27)22-13-18(3)29-25(15-22)30-19(4)35-29/h7-8,13-15,17,20,31H,9-12,16H2,1-6H3
InChIKeyNJHPUORPLLRJTM-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.98
Rot. Bonds5

About 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 142594148) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID142594148
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1nc2cc(-c3[nH]c4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4c3C(C)C)cc(C)c2o1
InChIInChI=1S/C29H36N4O2/c1-17(2)27-23-14-21(20-9-11-33(12-10-20)16-26(34)32(5)6)7-8-24(23)31-28(27)22-13-18(3)29-25(15-22)30-19(4)35-29/h7-8,13-15,17,20,31H,9-12,16H2,1-6H3
InChIKeyNJHPUORPLLRJTM-UHFFFAOYSA-N
XLogP5.98
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 158763846
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
2-[3-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 154639719
2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594572
2-[4-[2-(1,5-dimethyl-6-oxopyridazin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464388
7-methyl-5-[5-[1-(2-oxobutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3H-1,3-benzoxazol-2-one
CID 160613648
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxypropyl)-N-methylacetamide
CID 134329692
2-[4-[2-(5-methoxyimidazo[1,2-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594436
N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594665
N,N-dimethyl-2-[4-[2-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594007
N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594755
2-[4-[2-[5-(methoxymethyl)-1-methyl-6-oxo-3-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464472

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 142594148) is 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is Cc1nc2cc(-c3[nH]c4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4c3C(C)C)cc(C)c2o1.
What is the InChIKey of 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is NJHPUORPLLRJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-17(2)27-23-14-21(20-9-11-33(12-10-20)16-26(34)32(5)6)7-8-24(23)31-28(27)22-13-18(3)29-25(15-22)30-19(4)35-29/h7-8,13-15,17,20,31H,9-12,16H2,1-6H3.
What are the key properties of 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 472.63 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 142594148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).