N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide

C21H32N2O4 — CID 25367693

IUPACN-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN(C[C@@H]3CCOC3)CC2)c(OC)c1
InChIInChI=1S/C21H32N2O4/c1-25-18-4-5-19(20(13-18)26-2)22-21(24)6-3-16-7-10-23(11-8-16)14-17-9-12-27-15-17/h4-5,13,16-17H,3,6-12,14-15H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyAPPMSAZRKRFUDP-KRWDZBQOSA-N
MW376.50 g/mol
LogP3.17
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide

N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide (PubChem CID 25367693) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
PubChem CID25367693
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN(C[C@@H]3CCOC3)CC2)c(OC)c1
InChIInChI=1S/C21H32N2O4/c1-25-18-4-5-19(20(13-18)26-2)22-21(24)6-3-16-7-10-23(11-8-16)14-17-9-12-27-15-17/h4-5,13,16-17H,3,6-12,14-15H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyAPPMSAZRKRFUDP-KRWDZBQOSA-N
XLogP3.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide (CID 25367693) is N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide is COc1ccc(NC(=O)CCC2CCN(C[C@@H]3CCOC3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide?
The InChIKey is APPMSAZRKRFUDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-25-18-4-5-19(20(13-18)26-2)22-21(24)6-3-16-7-10-23(11-8-16)14-17-9-12-27-15-17/h4-5,13,16-17H,3,6-12,14-15H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 25367693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).