N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide

C22H34N2O3 — CID 23723641

IUPACN-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide
SMILESCCOCc1cc(CN2CCC(CCC(=O)NC3CC3)CC2)ccc1OC
InChIInChI=1S/C22H34N2O3/c1-3-27-16-19-14-18(4-8-21(19)26-2)15-24-12-10-17(11-13-24)5-9-22(25)23-20-6-7-20/h4,8,14,17,20H,3,5-7,9-13,15-16H2,1-2H3,(H,23,25)
InChIKeyBOFQPXSCNMWYFD-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.50
Rot. Bonds10

About N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 23723641) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide
PubChem CID23723641
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide
SMILESCCOCc1cc(CN2CCC(CCC(=O)NC3CC3)CC2)ccc1OC
InChIInChI=1S/C22H34N2O3/c1-3-27-16-19-14-18(4-8-21(19)26-2)15-24-12-10-17(11-13-24)5-9-22(25)23-20-6-7-20/h4,8,14,17,20H,3,5-7,9-13,15-16H2,1-2H3,(H,23,25)
InChIKeyBOFQPXSCNMWYFD-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide (CID 23723641) is N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide is CCOCc1cc(CN2CCC(CCC(=O)NC3CC3)CC2)ccc1OC.
What is the InChIKey of N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is BOFQPXSCNMWYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-3-27-16-19-14-18(4-8-21(19)26-2)15-24-12-10-17(11-13-24)5-9-22(25)23-20-6-7-20/h4,8,14,17,20H,3,5-7,9-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 23723641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).