N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide

C27H32N4O2 — CID 46377825

IUPACN-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccc(CNC(=O)C(C)C2CCN(C(=O)c3cn(-c4ccccc4)nc3C)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-19-9-11-22(12-10-19)17-28-26(32)20(2)23-13-15-30(16-14-23)27(33)25-18-31(29-21(25)3)24-7-5-4-6-8-24/h4-12,18,20,23H,13-17H2,1-3H3,(H,28,32)
InChIKeyOGUDLGKNSWUNMN-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.29
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide

N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 46377825) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID46377825
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccc(CNC(=O)C(C)C2CCN(C(=O)c3cn(-c4ccccc4)nc3C)CC2)cc1
InChIInChI=1S/C27H32N4O2/c1-19-9-11-22(12-10-19)17-28-26(32)20(2)23-13-15-30(16-14-23)27(33)25-18-31(29-21(25)3)24-7-5-4-6-8-24/h4-12,18,20,23H,13-17H2,1-3H3,(H,28,32)
InChIKeyOGUDLGKNSWUNMN-UHFFFAOYSA-N
XLogP4.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880090
N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 46377822
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 110023360
(2S)-N-benzyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084067
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119623914
(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880146
(2R)-N-[(4-methylphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]propanamide
CID 92503917
N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 53103661
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119517892
(2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 95113552

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (CID 46377825) is N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is Cc1ccc(CNC(=O)C(C)C2CCN(C(=O)c3cn(-c4ccccc4)nc3C)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is OGUDLGKNSWUNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-9-11-22(12-10-19)17-28-26(32)20(2)23-13-15-30(16-14-23)27(33)25-18-31(29-21(25)3)24-7-5-4-6-8-24/h4-12,18,20,23H,13-17H2,1-3H3,(H,28,32).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 444.58 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 46377825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).