N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide

C27H37N3O2 — CID 67394312

IUPACN-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(=O)c(CN(C(=O)C2CCCCC2)C2CCN(CC3CC3)CC2)cc2ccccc21
InChIInChI=1S/C27H37N3O2/c1-28-25-10-6-5-9-22(25)17-23(26(28)31)19-30(27(32)21-7-3-2-4-8-21)24-13-15-29(16-14-24)18-20-11-12-20/h5-6,9-10,17,20-21,24H,2-4,7-8,11-16,18-19H2,1H3
InChIKeyKMISSXJSACALJW-UHFFFAOYSA-N
MW435.61 g/mol
LogP4.32
Rot. Bonds6

About N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide

N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide (PubChem CID 67394312) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide
PubChem CID67394312
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide
SMILESCn1c(=O)c(CN(C(=O)C2CCCCC2)C2CCN(CC3CC3)CC2)cc2ccccc21
InChIInChI=1S/C27H37N3O2/c1-28-25-10-6-5-9-22(25)17-23(26(28)31)19-30(27(32)21-7-3-2-4-8-21)24-13-15-29(16-14-24)18-20-11-12-20/h5-6,9-10,17,20-21,24H,2-4,7-8,11-16,18-19H2,1H3
InChIKeyKMISSXJSACALJW-UHFFFAOYSA-N
XLogP4.32
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide (CID 67394312) is N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide is Cn1c(=O)c(CN(C(=O)C2CCCCC2)C2CCN(CC3CC3)CC2)cc2ccccc21.
What is the InChIKey of N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide?
The InChIKey is KMISSXJSACALJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-28-25-10-6-5-9-22(25)17-23(26(28)31)19-30(27(32)21-7-3-2-4-8-21)24-13-15-29(16-14-24)18-20-11-12-20/h5-6,9-10,17,20-21,24H,2-4,7-8,11-16,18-19H2,1H3.
What are the key properties of N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide?
N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide has a molecular weight of 435.61 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 67394312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).