N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide

C25H35N5OS — CID 23650390

IUPACN,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
SMILESCc1csc(N2CCC(N3CCC4(CCN(C(=O)N(C)C)c5ccccc54)CC3)CC2)n1
InChIInChI=1S/C25H35N5OS/c1-19-18-32-23(26-19)29-13-8-20(9-14-29)28-15-10-25(11-16-28)12-17-30(24(31)27(2)3)22-7-5-4-6-21(22)25/h4-7,18,20H,8-17H2,1-3H3
InChIKeyYGPJZUMRMHUCQY-UHFFFAOYSA-N
MW453.66 g/mol
LogP4.35
Rot. Bonds2

About N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide

N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide (PubChem CID 23650390) has the molecular formula C25H35N5OS and a molecular weight of 453.66 g/mol. Its IUPAC name is N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
PubChem CID23650390
Molecular FormulaC25H35N5OS
Molecular Weight453.66 g/mol
Exact Mass453.26
IUPAC NameN,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide
SMILESCc1csc(N2CCC(N3CCC4(CCN(C(=O)N(C)C)c5ccccc54)CC3)CC2)n1
InChIInChI=1S/C25H35N5OS/c1-19-18-32-23(26-19)29-13-8-20(9-14-29)28-15-10-25(11-16-28)12-17-30(24(31)27(2)3)22-7-5-4-6-21(22)25/h4-7,18,20H,8-17H2,1-3H3
InChIKeyYGPJZUMRMHUCQY-UHFFFAOYSA-N
XLogP4.35
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?
The IUPAC name of N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide (CID 23650390) is N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide is Cc1csc(N2CCC(N3CCC4(CCN(C(=O)N(C)C)c5ccccc54)CC3)CC2)n1.
What is the InChIKey of N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?
The InChIKey is YGPJZUMRMHUCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5OS/c1-19-18-32-23(26-19)29-13-8-20(9-14-29)28-15-10-25(11-16-28)12-17-30(24(31)27(2)3)22-7-5-4-6-21(22)25/h4-7,18,20H,8-17H2,1-3H3.
What are the key properties of N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide?
N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide has a molecular weight of 453.66 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 23650390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).