N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

C27H35N3O4 — CID 46454126

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)ccc1OCc1ccncc1
InChIInChI=1S/C27H35N3O4/c1-2-33-25-18-22(8-9-24(25)34-19-20-10-14-28-15-11-20)26(31)29-23-12-16-30(17-13-23)27(32)21-6-4-3-5-7-21/h8-11,14-15,18,21,23H,2-7,12-13,16-17,19H2,1H3,(H,29,31)
InChIKeyWEHBRIJNNHBDIC-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.36
Rot. Bonds8

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 46454126) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID46454126
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)ccc1OCc1ccncc1
InChIInChI=1S/C27H35N3O4/c1-2-33-25-18-22(8-9-24(25)34-19-20-10-14-28-15-11-20)26(31)29-23-12-16-30(17-13-23)27(32)21-6-4-3-5-7-21/h8-11,14-15,18,21,23H,2-7,12-13,16-17,19H2,1H3,(H,29,31)
InChIKeyWEHBRIJNNHBDIC-UHFFFAOYSA-N
XLogP4.36
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162
N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 30837796
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55814883
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 86950753
3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840543
1-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55815547

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (CID 46454126) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)ccc1OCc1ccncc1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is WEHBRIJNNHBDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-2-33-25-18-22(8-9-24(25)34-19-20-10-14-28-15-11-20)26(31)29-23-12-16-30(17-13-23)27(32)21-6-4-3-5-7-21/h8-11,14-15,18,21,23H,2-7,12-13,16-17,19H2,1H3,(H,29,31).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 465.59 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 46454126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).