N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide

C18H25ClN4O — CID 97206639

IUPACN-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)NCc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C18H25ClN4O/c1-22-11-4-3-6-13(22)9-10-17(24)20-12-15-18-14(19)7-5-8-16(18)23(2)21-15/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyHOMFONZNNLDCDY-ZDUSSCGKSA-N
MW348.88 g/mol
LogP3.11
Rot. Bonds5

About N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide

N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide (PubChem CID 97206639) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
PubChem CID97206639
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)NCc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C18H25ClN4O/c1-22-11-4-3-6-13(22)9-10-17(24)20-12-15-18-14(19)7-5-8-16(18)23(2)21-15/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyHOMFONZNNLDCDY-ZDUSSCGKSA-N
XLogP3.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444868
(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide
CID 155498138
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide
CID 118795940
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97206201
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 119064447
N-[1-(2-chlorophenyl)cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72872655
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide (CID 97206639) is N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide.
What is the SMILES notation for N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The canonical SMILES for N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide is CN1CCCC[C@H]1CCC(=O)NCc1nn(C)c2cccc(Cl)c12.
What is the InChIKey of N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
The InChIKey is HOMFONZNNLDCDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-22-11-4-3-6-13(22)9-10-17(24)20-12-15-18-14(19)7-5-8-16(18)23(2)21-15/h5,7-8,13H,3-4,6,9-12H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide?
N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide has a molecular weight of 348.88 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide is sourced from PubChem (CID 97206639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).