N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C21H31N5O4 — CID 154565634

IUPACN-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(=O)[nH]1
InChIInChI=1S/C21H31N5O4/c1-14-22-9-18(21(29)24-14)20(28)23-8-17-12-26(19(27)13-30-17)11-16-4-6-25(7-5-16)10-15-2-3-15/h9,15-17H,2-8,10-13H2,1H3,(H,23,28)(H,22,24,29)
InChIKeyYELWENJFVZZXFP-UHFFFAOYSA-N
MW417.51 g/mol
LogP0.16
Rot. Bonds7

About N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 154565634) has the molecular formula C21H31N5O4 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID154565634
Molecular FormulaC21H31N5O4
Molecular Weight417.51 g/mol
Exact Mass417.24
IUPAC NameN-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(=O)[nH]1
InChIInChI=1S/C21H31N5O4/c1-14-22-9-18(21(29)24-14)20(28)23-8-17-12-26(19(27)13-30-17)11-16-4-6-25(7-5-16)10-15-2-3-15/h9,15-17H,2-8,10-13H2,1H3,(H,23,28)(H,22,24,29)
InChIKeyYELWENJFVZZXFP-UHFFFAOYSA-N
XLogP0.16
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 154565634) is N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCC2CN(CC3CCN(CC4CC4)CC3)C(=O)CO2)c(=O)[nH]1.
What is the InChIKey of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YELWENJFVZZXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O4/c1-14-22-9-18(21(29)24-14)20(28)23-8-17-12-26(19(27)13-30-17)11-16-4-6-25(7-5-16)10-15-2-3-15/h9,15-17H,2-8,10-13H2,1H3,(H,23,28)(H,22,24,29).
What are the key properties of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 154565634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).