N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide

C24H26N6O — CID 53482031

IUPACN-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide
SMILESC[C@H](CN1CCC(n2nnc3ccccc32)CC1)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C24H26N6O/c1-17(26-24(31)19-14-18-6-2-3-7-21(18)25-15-19)16-29-12-10-20(11-13-29)30-23-9-5-4-8-22(23)27-28-30/h2-9,14-15,17,20H,10-13,16H2,1H3,(H,26,31)/t17-/m1/s1
InChIKeyRXAYZHZBGCIQGD-QGZVFWFLSA-N
MW414.51 g/mol
LogP3.43
Rot. Bonds5

About N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide

N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide (PubChem CID 53482031) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide
PubChem CID53482031
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide
SMILESC[C@H](CN1CCC(n2nnc3ccccc32)CC1)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C24H26N6O/c1-17(26-24(31)19-14-18-6-2-3-7-21(18)25-15-19)16-29-12-10-20(11-13-29)30-23-9-5-4-8-22(23)27-28-30/h2-9,14-15,17,20H,10-13,16H2,1H3,(H,26,31)/t17-/m1/s1
InChIKeyRXAYZHZBGCIQGD-QGZVFWFLSA-N
XLogP3.43
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-1-[(4S)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 159122224
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-5-methylpyrazine-2-carboxamide
CID 16671578
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1469612
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
CID 16671536
N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide
CID 155104929
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469614
N-[(2S)-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-1H-indole-2-carboxamide
CID 53470148
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 1469617
N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]pyrazine-2-carboxamide
CID 16671589
3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479
N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
CID 25105713

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide?
The IUPAC name of N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide (CID 53482031) is N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide is C[C@H](CN1CCC(n2nnc3ccccc32)CC1)NC(=O)c1cnc2ccccc2c1.
What is the InChIKey of N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide?
The InChIKey is RXAYZHZBGCIQGD-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17(26-24(31)19-14-18-6-2-3-7-21(18)25-15-19)16-29-12-10-20(11-13-29)30-23-9-5-4-8-22(23)27-28-30/h2-9,14-15,17,20H,10-13,16H2,1H3,(H,26,31)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide?
N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(benzotriazol-1-yl)piperidin-1-yl]propan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 53482031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).