N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

C13H21N5O3 — CID 136978012

IUPACN-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1c(N2CCCC(C(=O)NCCN)C2)nc[nH]c1=O
InChIInChI=1S/C13H21N5O3/c1-21-10-11(16-8-17-13(10)20)18-6-2-3-9(7-18)12(19)15-5-4-14/h8-9H,2-7,14H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyORSURRDNNKIDLS-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.93
Rot. Bonds5

About N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 136978012) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID136978012
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCOc1c(N2CCCC(C(=O)NCCN)C2)nc[nH]c1=O
InChIInChI=1S/C13H21N5O3/c1-21-10-11(16-8-17-13(10)20)18-6-2-3-9(7-18)12(19)15-5-4-14/h8-9H,2-7,14H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyORSURRDNNKIDLS-UHFFFAOYSA-N
XLogP-0.93
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687974
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687980
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-methoxy-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805334
4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805344
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805352
5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805362
4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136869155
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136948245
4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958190
5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958196

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide (CID 136978012) is N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is COc1c(N2CCCC(C(=O)NCCN)C2)nc[nH]c1=O.
What is the InChIKey of N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is ORSURRDNNKIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-21-10-11(16-8-17-13(10)20)18-6-2-3-9(7-18)12(19)15-5-4-14/h8-9H,2-7,14H2,1H3,(H,15,19)(H,16,17,20).
What are the key properties of N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 136978012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).