[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone

C18H28N4O2 — CID 70780530

IUPAC[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCOCc1ncc(CN2CCC(C(=O)N3CCCCC3)CC2)cn1
InChIInChI=1S/C18H28N4O2/c1-24-14-17-19-11-15(12-20-17)13-21-9-5-16(6-10-21)18(23)22-7-3-2-4-8-22/h11-12,16H,2-10,13-14H2,1H3
InChIKeyTWAAVXDHCREWMP-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.85
Rot. Bonds5

About [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 70780530) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID70780530
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCOCc1ncc(CN2CCC(C(=O)N3CCCCC3)CC2)cn1
InChIInChI=1S/C18H28N4O2/c1-24-14-17-19-11-15(12-20-17)13-21-9-5-16(6-10-21)18(23)22-7-3-2-4-8-22/h11-12,16H,2-10,13-14H2,1H3
InChIKeyTWAAVXDHCREWMP-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
4-[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]benzoic acid
CID 56894504
oxalic acid;piperidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 2903448
[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 3493340
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
oxalic acid;[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 163328359
[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-4-yl]-[3-(methoxyamino)spiro[indene-1,4'-piperidine]-1'-yl]methanone
CID 123886369
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 883926

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 70780530) is [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone is COCc1ncc(CN2CCC(C(=O)N3CCCCC3)CC2)cn1.
What is the InChIKey of [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is TWAAVXDHCREWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-24-14-17-19-11-15(12-20-17)13-21-9-5-16(6-10-21)18(23)22-7-3-2-4-8-22/h11-12,16H,2-10,13-14H2,1H3.
What are the key properties of [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 332.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70780530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).