N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide

C29H35N5O2 — CID 15988938

IUPACN-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C29H35N5O2/c1-22-20-27(33-14-6-3-7-15-33)31-26-11-10-23(21-25(22)26)30-28(35)12-13-29(36)34-18-16-32(17-19-34)24-8-4-2-5-9-24/h2,4-5,8-11,20-21H,3,6-7,12-19H2,1H3,(H,30,35)
InChIKeyDEVOTYUCWQFKBI-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.60
Rot. Bonds6

About N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide

N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide (PubChem CID 15988938) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
PubChem CID15988938
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC NameN-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc12
InChIInChI=1S/C29H35N5O2/c1-22-20-27(33-14-6-3-7-15-33)31-26-11-10-23(21-25(22)26)30-28(35)12-13-29(36)34-18-16-32(17-19-34)24-8-4-2-5-9-24/h2,4-5,8-11,20-21H,3,6-7,12-19H2,1H3,(H,30,35)
InChIKeyDEVOTYUCWQFKBI-UHFFFAOYSA-N
XLogP4.60
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
The IUPAC name of N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide (CID 15988938) is N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
The canonical SMILES for N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide is Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc12.
What is the InChIKey of N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
The InChIKey is DEVOTYUCWQFKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-22-20-27(33-14-6-3-7-15-33)31-26-11-10-23(21-25(22)26)30-28(35)12-13-29(36)34-18-16-32(17-19-34)24-8-4-2-5-9-24/h2,4-5,8-11,20-21H,3,6-7,12-19H2,1H3,(H,30,35).
What are the key properties of N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide?
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide has a molecular weight of 485.63 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide is sourced from PubChem (CID 15988938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).