N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide

C21H30N4O3 — CID 42098387

IUPACN-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
SMILESCCn1ccnc1CN1CCC[C@H](CNC(=O)c2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C21H30N4O3/c1-4-25-9-7-22-20(25)15-24-8-5-6-16(14-24)13-23-21(26)17-10-18(27-2)12-19(11-17)28-3/h7,9-12,16H,4-6,8,13-15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyXMRAMPCYEDALGP-MRXNPFEDSA-N
MW386.50 g/mol
LogP2.56
Rot. Bonds8

About N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide

N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide (PubChem CID 42098387) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
PubChem CID42098387
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
SMILESCCn1ccnc1CN1CCC[C@H](CNC(=O)c2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C21H30N4O3/c1-4-25-9-7-22-20(25)15-24-8-5-6-16(14-24)13-23-21(26)17-10-18(27-2)12-19(11-17)28-3/h7,9-12,16H,4-6,8,13-15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyXMRAMPCYEDALGP-MRXNPFEDSA-N
XLogP2.56
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
3,5-dimethoxy-N-[[(3R)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 97277347
3,5-dimethoxy-N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95212687
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56715514
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95211408
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
3,5-dimethoxy-N-[[1-(2-methylsulfanylacetyl)piperidin-3-yl]methyl]benzamide
CID 45199638
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine
CID 45199047
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide (CID 42098387) is N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide is CCn1ccnc1CN1CCC[C@H](CNC(=O)c2cc(OC)cc(OC)c2)C1.
What is the InChIKey of N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide?
The InChIKey is XMRAMPCYEDALGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-4-25-9-7-22-20(25)15-24-8-5-6-16(14-24)13-23-21(26)17-10-18(27-2)12-19(11-17)28-3/h7,9-12,16H,4-6,8,13-15H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide?
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide has a molecular weight of 386.50 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 42098387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).