N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C24H32N2O3 — CID 30400078

IUPACN-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-18-12-14-26(15-13-18)16-20-4-6-21(7-5-20)24(27)25-19(2)17-29-23-10-8-22(28-3)9-11-23/h4-11,18-19H,12-17H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyRRUNIJHZKSBPBY-IBGZPJMESA-N
MW396.53 g/mol
LogP4.12
Rot. Bonds8

About N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 30400078) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID30400078
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C24H32N2O3/c1-18-12-14-26(15-13-18)16-20-4-6-21(7-5-20)24(27)25-19(2)17-29-23-10-8-22(28-3)9-11-23/h4-11,18-19H,12-17H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyRRUNIJHZKSBPBY-IBGZPJMESA-N
XLogP4.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 108737738
4-(azepan-1-ylmethyl)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 94013585
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 51361839
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100584519
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95041527

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 30400078) is N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is COc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is RRUNIJHZKSBPBY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O3/c1-18-12-14-26(15-13-18)16-20-4-6-21(7-5-20)24(27)25-19(2)17-29-23-10-8-22(28-3)9-11-23/h4-11,18-19H,12-17H2,1-3H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 396.53 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 30400078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).