2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide

C21H27N3O2 — CID 167760711

IUPAC2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3c(O)ccc4ccccc34)C2)CC1
InChIInChI=1S/C21H27N3O2/c1-23-11-9-17(10-12-23)24-13-8-16(14-24)22-21(26)20-18-5-3-2-4-15(18)6-7-19(20)25/h2-7,16-17,25H,8-14H2,1H3,(H,22,26)
InChIKeyLCBVURPIBKGLLU-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.44
Rot. Bonds3

About 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide

2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 167760711) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID167760711
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3c(O)ccc4ccccc34)C2)CC1
InChIInChI=1S/C21H27N3O2/c1-23-11-9-17(10-12-23)24-13-8-16(14-24)22-21(26)20-18-5-3-2-4-15(18)6-7-19(20)25/h2-7,16-17,25H,8-14H2,1H3,(H,22,26)
InChIKeyLCBVURPIBKGLLU-UHFFFAOYSA-N
XLogP2.44
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide (CID 167760711) is 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide is CN1CCC(N2CCC(NC(=O)c3c(O)ccc4ccccc34)C2)CC1.
What is the InChIKey of 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is LCBVURPIBKGLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-11-9-17(10-12-23)24-13-8-16(14-24)22-21(26)20-18-5-3-2-4-15(18)6-7-19(20)25/h2-7,16-17,25H,8-14H2,1H3,(H,22,26).
What are the key properties of 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide?
2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 167760711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).