N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C15H23N5O3 — CID 146193144

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C15H23N5O3/c1-9(16)15(23)20-5-3-11(4-6-20)10(2)19-14(22)12-7-17-8-18-13(12)21/h7-11H,3-6,16H2,1-2H3,(H,19,22)(H,17,18,21)
InChIKeyJHAHGQAOZVPOSS-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.53
Rot. Bonds4

About N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 146193144) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID146193144
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C15H23N5O3/c1-9(16)15(23)20-5-3-11(4-6-20)10(2)19-14(22)12-7-17-8-18-13(12)21/h7-11H,3-6,16H2,1-2H3,(H,19,22)(H,17,18,21)
InChIKeyJHAHGQAOZVPOSS-UHFFFAOYSA-N
XLogP-0.53
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 56710793
N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56891064
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-4(3H)-pyrimidinone
CID 70746516
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567
2-cyclopropyl-5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-4(3H)-pyrimidinone
CID 70777499
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534
3-Methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one
CID 83890531
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
N-(1-cyclopentylpiperidin-4-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91771766
5-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96392725
5-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96392727

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 146193144) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is CC(N)C(=O)N1CCC(C(C)NC(=O)c2cnc[nH]c2=O)CC1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JHAHGQAOZVPOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-9(16)15(23)20-5-3-11(4-6-20)10(2)19-14(22)12-7-17-8-18-13(12)21/h7-11H,3-6,16H2,1-2H3,(H,19,22)(H,17,18,21).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 146193144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).