N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C14H24N2O3 — CID 106625827

IUPACN-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)C1=COCCO1
InChIInChI=1S/C14H24N2O3/c1-2-7-16(10-12-5-3-4-6-15-12)14(17)13-11-18-8-9-19-13/h11-12,15H,2-10H2,1H3
InChIKeyCDVNWLLNYCBVPQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.26
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 106625827) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID106625827
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCCN(CC1CCCCN1)C(=O)C1=COCCO1
InChIInChI=1S/C14H24N2O3/c1-2-7-16(10-12-5-3-4-6-15-12)14(17)13-11-18-8-9-19-13/h11-12,15H,2-10H2,1H3
InChIKeyCDVNWLLNYCBVPQ-UHFFFAOYSA-N
XLogP1.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(piperidin-2-ylmethyl)-N-propylfuran-3-carboxamide
CID 106625551
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
N-(piperidin-2-ylmethyl)-N-propylpyrimidine-5-carboxamide
CID 106625552
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625640
2-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrazole-3-carboxamide
CID 106625760
5-nitro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625686
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
N-(piperidin-2-ylmethyl)-N-propylcyclooctanecarboxamide
CID 106625676
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 106625827) is N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide is CCCN(CC1CCCCN1)C(=O)C1=COCCO1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is CDVNWLLNYCBVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-7-16(10-12-5-3-4-6-15-12)14(17)13-11-18-8-9-19-13/h11-12,15H,2-10H2,1H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 106625827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).