N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide

C20H27N3O3 — CID 136578590

IUPACN-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccccc2N(C)C(=O)C2CC2)CC1
InChIInChI=1S/C20H27N3O3/c1-14(24)21-13-15-9-11-23(12-10-15)20(26)17-5-3-4-6-18(17)22(2)19(25)16-7-8-16/h3-6,15-16H,7-13H2,1-2H3,(H,21,24)
InChIKeyNKJBLWXQBRHZDY-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.05
Rot. Bonds5

About N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide

N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide (PubChem CID 136578590) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
PubChem CID136578590
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccccc2N(C)C(=O)C2CC2)CC1
InChIInChI=1S/C20H27N3O3/c1-14(24)21-13-15-9-11-23(12-10-15)20(26)17-5-3-4-6-18(17)22(2)19(25)16-7-8-16/h3-6,15-16H,7-13H2,1-2H3,(H,21,24)
InChIKeyNKJBLWXQBRHZDY-UHFFFAOYSA-N
XLogP2.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352
ethyl 4-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]piperidine-1-carboxylate
CID 46491359
N-methyl-N-[2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 120995494
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55961993
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119624931
N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 86822897
N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
CID 102736730
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 119478823
N-[5-[4-(acetamidomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-2-chlorobenzamide
CID 55844141
N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
CID 107036683

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide (CID 136578590) is N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide is CC(=O)NCC1CCN(C(=O)c2ccccc2N(C)C(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide?
The InChIKey is NKJBLWXQBRHZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(24)21-13-15-9-11-23(12-10-15)20(26)17-5-3-4-6-18(17)22(2)19(25)16-7-8-16/h3-6,15-16H,7-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide?
N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 136578590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).