6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

C22H27N5O3 — CID 41379832

IUPAC6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N5O3/c1-13(19(28)18-20(23)25(2)22(30)26(3)21(18)29)27-10-8-14(9-11-27)16-12-24-17-7-5-4-6-15(16)17/h4-7,12-14,24H,8-11,23H2,1-3H3/t13-/m1/s1
InChIKeyBPZCLWOPJBNVHU-CYBMUJFWSA-N
MW409.49 g/mol
LogP1.60
Rot. Bonds4

About 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 41379832) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID41379832
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N5O3/c1-13(19(28)18-20(23)25(2)22(30)26(3)21(18)29)27-10-8-14(9-11-27)16-12-24-17-7-5-4-6-15(16)17/h4-7,12-14,24H,8-11,23H2,1-3H3/t13-/m1/s1
InChIKeyBPZCLWOPJBNVHU-CYBMUJFWSA-N
XLogP1.60
TPSA106.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 41379832) is 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BPZCLWOPJBNVHU-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-13(19(28)18-20(23)25(2)22(30)26(3)21(18)29)27-10-8-14(9-11-27)16-12-24-17-7-5-4-6-15(16)17/h4-7,12-14,24H,8-11,23H2,1-3H3/t13-/m1/s1.
What are the key properties of 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 409.49 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 41379832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).