N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

C20H29N3O3 — CID 120891329

IUPACN-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCOCC1(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)CCNCC1
InChIInChI=1S/C20H29N3O3/c1-26-14-20(8-10-21-11-9-20)13-22-18(24)12-15-2-6-17(7-3-15)23-19(25)16-4-5-16/h2-3,6-7,16,21H,4-5,8-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyYWPLRMWUDXKJGE-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.71
Rot. Bonds8

About N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (PubChem CID 120891329) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
PubChem CID120891329
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCOCC1(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)CCNCC1
InChIInChI=1S/C20H29N3O3/c1-26-14-20(8-10-21-11-9-20)13-22-18(24)12-15-2-6-17(7-3-15)23-19(25)16-4-5-16/h2-3,6-7,16,21H,4-5,8-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyYWPLRMWUDXKJGE-UHFFFAOYSA-N
XLogP1.71
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120891219
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide
CID 120888033
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide;hydrochloride
CID 120888032
2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120892133
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120887242
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120890173
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
CID 120887674
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (CID 120891329) is N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is COCC1(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)CCNCC1.
What is the InChIKey of N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is YWPLRMWUDXKJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-26-14-20(8-10-21-11-9-20)13-22-18(24)12-15-2-6-17(7-3-15)23-19(25)16-4-5-16/h2-3,6-7,16,21H,4-5,8-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 120891329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).