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

C26H36N4O2 — CID 46377822

IUPACN-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(C(C)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C26H36N4O2/c1-19(25(31)27-22-10-6-3-4-7-11-22)21-14-16-29(17-15-21)26(32)24-18-30(28-20(24)2)23-12-8-5-9-13-23/h5,8-9,12-13,18-19,21-22H,3-4,6-7,10-11,14-17H2,1-2H3,(H,27,31)
InChIKeyLUWUZUJHEDTCKT-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.51
Rot. Bonds5

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

N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 46377822) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID46377822
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC NameN-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(C(C)C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C26H36N4O2/c1-19(25(31)27-22-10-6-3-4-7-11-22)21-14-16-29(17-15-21)26(32)24-18-30(28-20(24)2)23-12-8-5-9-13-23/h5,8-9,12-13,18-19,21-22H,3-4,6-7,10-11,14-17H2,1-2H3,(H,27,31)
InChIKeyLUWUZUJHEDTCKT-UHFFFAOYSA-N
XLogP4.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880146
(2R)-N-benzyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880090
N-[(4-methylphenyl)methyl]-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 46377825
[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
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119623914
[2-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119436418
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503661
(2S)-N-cyclohexyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95084158
1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168408
(2S)-N-cyclopentyl-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95056455

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide (CID 46377822) is N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(C(C)C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is LUWUZUJHEDTCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-19(25(31)27-22-10-6-3-4-7-11-22)21-14-16-29(17-15-21)26(32)24-18-30(28-20(24)2)23-12-8-5-9-13-23/h5,8-9,12-13,18-19,21-22H,3-4,6-7,10-11,14-17H2,1-2H3,(H,27,31).
What are the key properties of N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide?
N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 436.60 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 46377822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).