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

C23H25N5O2 — CID 131919670

IUPACN-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C23H25N5O2/c29-22(18-5-4-16-2-1-3-17(16)12-18)24-14-15-8-10-28(11-9-15)23(30)19-6-7-20-21(13-19)26-27-25-20/h4-7,12-13,15H,1-3,8-11,14H2,(H,24,29)(H,25,26,27)
InChIKeyLKOZOOCTRCTXDH-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.73
Rot. Bonds4

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

N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 131919670) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID131919670
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C23H25N5O2/c29-22(18-5-4-16-2-1-3-17(16)12-18)24-14-15-8-10-28(11-9-15)23(30)19-6-7-20-21(13-19)26-27-25-20/h4-7,12-13,15H,1-3,8-11,14H2,(H,24,29)(H,25,26,27)
InChIKeyLKOZOOCTRCTXDH-UHFFFAOYSA-N
XLogP2.73
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-5-(difluoromethyl)-1H-pyrazole-3-carboxamide
CID 131915542
2,3-dihydro-1H-inden-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648165
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]acetamide
CID 86996686
N-(2,3-dihydro-1H-inden-5-yl)-2H-benzotriazole-5-carboxamide
CID 36542028
2H-benzotriazol-5-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371858
formic acid;N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154911650
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 99928341
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 119538624
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110745949
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 131919670) is N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCC1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is LKOZOOCTRCTXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-22(18-5-4-16-2-1-3-17(16)12-18)24-14-15-8-10-28(11-9-15)23(30)19-6-7-20-21(13-19)26-27-25-20/h4-7,12-13,15H,1-3,8-11,14H2,(H,24,29)(H,25,26,27).
What are the key properties of N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 131919670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).