4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide

C19H25N3O2 — CID 71783476

IUPAC4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
SMILESCC(O)CN1CCN(C(=O)NCc2cccc3ccccc23)CC1
InChIInChI=1S/C19H25N3O2/c1-15(23)14-21-9-11-22(12-10-21)19(24)20-13-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,15,23H,9-14H2,1H3,(H,20,24)
InChIKeyWQXRMYDZXSASNP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.05
Rot. Bonds4

About 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide

4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide (PubChem CID 71783476) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
PubChem CID71783476
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
SMILESCC(O)CN1CCN(C(=O)NCc2cccc3ccccc23)CC1
InChIInChI=1S/C19H25N3O2/c1-15(23)14-21-9-11-22(12-10-21)19(24)20-13-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,15,23H,9-14H2,1H3,(H,20,24)
InChIKeyWQXRMYDZXSASNP-UHFFFAOYSA-N
XLogP2.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide (CID 71783476) is 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide is CC(O)CN1CCN(C(=O)NCc2cccc3ccccc23)CC1.
What is the InChIKey of 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The InChIKey is WQXRMYDZXSASNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(23)14-21-9-11-22(12-10-21)19(24)20-13-17-7-4-6-16-5-2-3-8-18(16)17/h2-8,15,23H,9-14H2,1H3,(H,20,24).
What are the key properties of 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71783476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).