1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide

C16H24N4O3 — CID 121063627

IUPAC1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
SMILESCCCCc1cc(=O)n(CC(=O)N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C16H24N4O3/c1-2-3-4-13-9-14(21)20(11-18-13)10-15(22)19-7-5-12(6-8-19)16(17)23/h9,11-12H,2-8,10H2,1H3,(H2,17,23)
InChIKeyAKDJGTYSKMTQLT-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.31
Rot. Bonds6

About 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide

1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 121063627) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID121063627
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
SMILESCCCCc1cc(=O)n(CC(=O)N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C16H24N4O3/c1-2-3-4-13-9-14(21)20(11-18-13)10-15(22)19-7-5-12(6-8-19)16(17)23/h9,11-12H,2-8,10H2,1H3,(H2,17,23)
InChIKeyAKDJGTYSKMTQLT-UHFFFAOYSA-N
XLogP0.31
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136050336
N-[2-(6-hydroxy-4-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136112866
N-[2-(6-hydroxy-4-pyrimidinyl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136233462
6-isopropyl-3-(2-oxo-2-(piperidin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 45535224
3-({1-[2-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942318
6-isopropyl-3-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)pyrimidin-4(3H)-one
CID 45535225
3-{2-[(S)-3-methyl-1-piperidyl]-2-oxoethyl}-6-propyl-4(3H)-pyrimidinone
CID 93477846
N,N-diallyl-2-[3-(6-hydroxy-2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 135988320
3-(6-Oxo-4-propan-2-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 167060680
1-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 45535013
methyl 1-(2-(6-oxo-4-propylpyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxylate
CID 45535025
3-(2-oxo-2-(piperidin-1-yl)ethyl)-6-propylpyrimidin-4(3H)-one
CID 45535062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide (CID 121063627) is 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide is CCCCc1cc(=O)n(CC(=O)N2CCC(C(N)=O)CC2)cn1.
What is the InChIKey of 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is AKDJGTYSKMTQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-3-4-13-9-14(21)20(11-18-13)10-15(22)19-7-5-12(6-8-19)16(17)23/h9,11-12H,2-8,10H2,1H3,(H2,17,23).
What are the key properties of 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide?
1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 121063627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).