4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide

C19H28N2O2 — CID 136526082

IUPAC4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCN1CCCC(CN(C)C(=O)c2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-20-11-3-4-16(12-20)13-21(2)19(22)17-7-9-18(10-8-17)23-14-15-5-6-15/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyCUXKCYSNURHGHD-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.89
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide

4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 136526082) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
PubChem CID136526082
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
SMILESCN1CCCC(CN(C)C(=O)c2ccc(OCC3CC3)cc2)C1
InChIInChI=1S/C19H28N2O2/c1-20-11-3-4-16(12-20)13-21(2)19(22)17-7-9-18(10-8-17)23-14-15-5-6-15/h7-10,15-16H,3-6,11-14H2,1-2H3
InChIKeyCUXKCYSNURHGHD-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methoxy]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 99974557
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
4-[[4-(cyclohexylmethoxy)benzoyl]-methylamino]butanoic acid
CID 119172965
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
N-[[1-(2-amino-5-bromopyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 167958879
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
N-cyclopropyl-4-methyl-N-[[3-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]benzamide
CID 45201934

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide (CID 136526082) is 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide is CN1CCCC(CN(C)C(=O)c2ccc(OCC3CC3)cc2)C1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is CUXKCYSNURHGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-20-11-3-4-16(12-20)13-21(2)19(22)17-7-9-18(10-8-17)23-14-15-5-6-15/h7-10,15-16H,3-6,11-14H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide?
4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 136526082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).