acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

C23H38N4O5 — CID 163334632

IUPACacetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCC(=O)O.CC(=O)O.Cc1nc(C)c2c(n1)OC(CN1CCC(C3CCNCC3)CC1)C2
InChIInChI=1S/C19H30N4O.2C2H4O2/c1-13-18-11-17(24-19(18)22-14(2)21-13)12-23-9-5-16(6-10-23)15-3-7-20-8-4-15;2*1-2(3)4/h15-17,20H,3-12H2,1-2H3;2*1H3,(H,3,4)
InChIKeyBXAWKIZHENAAQU-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.29
Rot. Bonds3

About acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 163334632) has the molecular formula C23H38N4O5 and a molecular weight of 450.58 g/mol. Its IUPAC name is acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Nameacetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID163334632
Molecular FormulaC23H38N4O5
Molecular Weight450.58 g/mol
Exact Mass450.28
IUPAC Nameacetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCC(=O)O.CC(=O)O.Cc1nc(C)c2c(n1)OC(CN1CCC(C3CCNCC3)CC1)C2
InChIInChI=1S/C19H30N4O.2C2H4O2/c1-13-18-11-17(24-19(18)22-14(2)21-13)12-23-9-5-16(6-10-23)15-3-7-20-8-4-15;2*1-2(3)4/h15-17,20H,3-12H2,1-2H3;2*1H3,(H,3,4)
InChIKeyBXAWKIZHENAAQU-UHFFFAOYSA-N
XLogP2.29
TPSA124.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine (CID 163334632) is acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine is CC(=O)O.CC(=O)O.Cc1nc(C)c2c(n1)OC(CN1CCC(C3CCNCC3)CC1)C2.
What is the InChIKey of acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is BXAWKIZHENAAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2C2H4O2/c1-13-18-11-17(24-19(18)22-14(2)21-13)12-23-9-5-16(6-10-23)15-3-7-20-8-4-15;2*1-2(3)4/h15-17,20H,3-12H2,1-2H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine?
acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 450.58 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,4-dimethyl-6-[(4-piperidin-4-ylpiperidin-1-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 163334632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).