1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C28H36N4O2 — CID 123728898

IUPAC1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)CCC4NC(=O)C3CCCC3)CC2)ccn1
InChIInChI=1S/C28H36N4O2/c1-19-17-24(11-14-29-19)32-15-12-23(13-16-32)31(2)28(34)22-7-9-25-21(18-22)8-10-26(25)30-27(33)20-5-3-4-6-20/h7,9,11,14,17-18,20,23,26H,3-6,8,10,12-13,15-16H2,1-2H3,(H,30,33)
InChIKeyLTQCUJFQYXGRCF-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.42
Rot. Bonds5

About 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 123728898) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID123728898
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)CCC4NC(=O)C3CCCC3)CC2)ccn1
InChIInChI=1S/C28H36N4O2/c1-19-17-24(11-14-29-19)32-15-12-23(13-16-32)31(2)28(34)22-7-9-25-21(18-22)8-10-26(25)30-27(33)20-5-3-4-6-20/h7,9,11,14,17-18,20,23,26H,3-6,8,10,12-13,15-16H2,1-2H3,(H,30,33)
InChIKeyLTQCUJFQYXGRCF-UHFFFAOYSA-N
XLogP4.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 123728898) is 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)CCC4NC(=O)C3CCCC3)CC2)ccn1.
What is the InChIKey of 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is LTQCUJFQYXGRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-19-17-24(11-14-29-19)32-15-12-23(13-16-32)31(2)28(34)22-7-9-25-21(18-22)8-10-26(25)30-27(33)20-5-3-4-6-20/h7,9,11,14,17-18,20,23,26H,3-6,8,10,12-13,15-16H2,1-2H3,(H,30,33).
What are the key properties of 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 123728898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).