1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide

C18H28N2O3 — CID 51361839

IUPAC1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28N2O3/c1-14(13-22-2)19-18(21)16-8-10-20(11-9-16)12-15-4-6-17(23-3)7-5-15/h4-7,14,16H,8-13H2,1-3H3,(H,19,21)
InChIKeyBCKMNADMABHPHK-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.06
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide

1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide (PubChem CID 51361839) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
PubChem CID51361839
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
SMILESCOCC(C)NC(=O)C1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H28N2O3/c1-14(13-22-2)19-18(21)16-8-10-20(11-9-16)12-15-4-6-17(23-3)7-5-15/h4-7,14,16H,8-13H2,1-3H3,(H,19,21)
InChIKeyBCKMNADMABHPHK-UHFFFAOYSA-N
XLogP2.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361898
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95041527
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4614545
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
1-[(4-chlorophenyl)methyl]-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013561
1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide;oxalic acid
CID 2903427
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533
1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 133161823
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30400078

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide (CID 51361839) is 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide is COCC(C)NC(=O)C1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
The InChIKey is BCKMNADMABHPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(13-22-2)19-18(21)16-8-10-20(11-9-16)12-15-4-6-17(23-3)7-5-15/h4-7,14,16H,8-13H2,1-3H3,(H,19,21).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51361839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).