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

C20H29N5O5 — CID 125163888

IUPACN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C20H29N5O5/c26-17-7-16(22-20(29)23-17)19(28)21-8-15-11-25(18(27)12-30-15)10-14-3-5-24(6-4-14)9-13-1-2-13/h7,13-15H,1-6,8-12H2,(H,21,28)(H2,22,23,26,29)/t15-/m1/s1
InChIKeyZZLKAZQUJWEORM-OAHLLOKOSA-N
MW419.48 g/mol
LogP-0.86
Rot. Bonds7

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

N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 125163888) has the molecular formula C20H29N5O5 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID125163888
Molecular FormulaC20H29N5O5
Molecular Weight419.48 g/mol
Exact Mass419.22
IUPAC NameN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C20H29N5O5/c26-17-7-16(22-20(29)23-17)19(28)21-8-15-11-25(18(27)12-30-15)10-14-3-5-24(6-4-14)9-13-1-2-13/h7,13-15H,1-6,8-12H2,(H,21,28)(H2,22,23,26,29)/t15-/m1/s1
InChIKeyZZLKAZQUJWEORM-OAHLLOKOSA-N
XLogP-0.86
TPSA127.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 125163888) is N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is ZZLKAZQUJWEORM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29N5O5/c26-17-7-16(22-20(29)23-17)19(28)21-8-15-11-25(18(27)12-30-15)10-14-3-5-24(6-4-14)9-13-1-2-13/h7,13-15H,1-6,8-12H2,(H,21,28)(H2,22,23,26,29)/t15-/m1/s1.
What are the key properties of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 419.48 g/mol, XLogP of -0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 125163888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).