N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide

C27H31N3O3 — CID 110075858

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(C(=O)Cn2ccc3ccccc32)C1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C27H31N3O3/c31-26(28-17-20-9-10-25-23(15-20)7-4-14-33-25)16-21-5-3-12-30(18-21)27(32)19-29-13-11-22-6-1-2-8-24(22)29/h1-2,6,8-11,13,15,21H,3-5,7,12,14,16-19H2,(H,28,31)
InChIKeyZVXGUULQDPAKPC-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.91
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide (PubChem CID 110075858) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide
PubChem CID110075858
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(C(=O)Cn2ccc3ccccc32)C1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C27H31N3O3/c31-26(28-17-20-9-10-25-23(15-20)7-4-14-33-25)16-21-5-3-12-30(18-21)27(32)19-29-13-11-22-6-1-2-8-24(22)29/h1-2,6,8-11,13,15,21H,3-5,7,12,14,16-19H2,(H,28,31)
InChIKeyZVXGUULQDPAKPC-UHFFFAOYSA-N
XLogP3.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide (CID 110075858) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide is O=C(CC1CCCN(C(=O)Cn2ccc3ccccc32)C1)NCc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide?
The InChIKey is ZVXGUULQDPAKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c31-26(28-17-20-9-10-25-23(15-20)7-4-14-33-25)16-21-5-3-12-30(18-21)27(32)19-29-13-11-22-6-1-2-8-24(22)29/h1-2,6,8-11,13,15,21H,3-5,7,12,14,16-19H2,(H,28,31).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide has a molecular weight of 445.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[1-(2-indol-1-ylacetyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 110075858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).