methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate

C20H28N2O3 — CID 67844920

IUPACmethyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C20H28N2O3/c1-25-20(24)17-6-8-18(9-7-17)22-19(23)16-4-2-14(3-5-16)15-10-12-21-13-11-15/h2-5,15,17-18,21H,6-13H2,1H3,(H,22,23)
InChIKeyMYXCYEXVHBXLTM-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.62
Rot. Bonds4

About methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate

methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate (PubChem CID 67844920) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate
PubChem CID67844920
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Namemethyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2ccc(C3CCNCC3)cc2)CC1
InChIInChI=1S/C20H28N2O3/c1-25-20(24)17-6-8-18(9-7-17)22-19(23)16-4-2-14(3-5-16)15-10-12-21-13-11-15/h2-5,15,17-18,21H,6-13H2,1H3,(H,22,23)
InChIKeyMYXCYEXVHBXLTM-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-iodobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617185
methyl 4-[(4-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617198
propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
CID 67844937
2-amino-3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844674
methyl 4-[[4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)benzoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 19969982
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid
CID 67844916
methyl 4-[(6-bromopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115669882
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
methyl 4-[5-(4-piperidin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
CID 22077371
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate (CID 67844920) is methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2ccc(C3CCNCC3)cc2)CC1.
What is the InChIKey of methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate?
The InChIKey is MYXCYEXVHBXLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-20(24)17-6-8-18(9-7-17)22-19(23)16-4-2-14(3-5-16)15-10-12-21-13-11-15/h2-5,15,17-18,21H,6-13H2,1H3,(H,22,23).
What are the key properties of methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 67844920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).