3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C18H28N4O4 — CID 97277962

IUPAC3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCC1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C18H28N4O4/c23-16(19-11-15-2-1-9-26-15)4-3-13-5-7-22(8-6-13)12-14-10-17(24)21-18(25)20-14/h10,13,15H,1-9,11-12H2,(H,19,23)(H2,20,21,24,25)/t15-/m1/s1
InChIKeySUUYVLRQKYOOQK-OAHLLOKOSA-N
MW364.45 g/mol
LogP0.35
Rot. Bonds7

About 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 97277962) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID97277962
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESO=C(CCC1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C18H28N4O4/c23-16(19-11-15-2-1-9-26-15)4-3-13-5-7-22(8-6-13)12-14-10-17(24)21-18(25)20-14/h10,13,15H,1-9,11-12H2,(H,19,23)(H2,20,21,24,25)/t15-/m1/s1
InChIKeySUUYVLRQKYOOQK-OAHLLOKOSA-N
XLogP0.35
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 26396266
3-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42557122
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42381634
3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42567316
3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 45229016
3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 25460400
3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 45224572
3-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 26406304
3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97272642
3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 72862698
N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 95208034
3-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25383579

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 97277962) is 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is O=C(CCC1CCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1)NC[C@H]1CCCO1.
What is the InChIKey of 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is SUUYVLRQKYOOQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O4/c23-16(19-11-15-2-1-9-26-15)4-3-13-5-7-22(8-6-13)12-14-10-17(24)21-18(25)20-14/h10,13,15H,1-9,11-12H2,(H,19,23)(H2,20,21,24,25)/t15-/m1/s1.
What are the key properties of 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 97277962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).