[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid

C18H23N3O4 — CID 174225411

IUPAC[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H23N3O4/c22-16-6-5-15(17(23)20-16)13-1-3-14(4-2-13)21-9-7-12(8-10-21)11-19-18(24)25/h1-4,12,15,19H,5-11H2,(H,24,25)(H,20,22,23)
InChIKeySSLVOASRSYQDJC-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.69
Rot. Bonds4

About [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid

[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid (PubChem CID 174225411) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
PubChem CID174225411
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C18H23N3O4/c22-16-6-5-15(17(23)20-16)13-1-3-14(4-2-13)21-9-7-12(8-10-21)11-19-18(24)25/h1-4,12,15,19H,5-11H2,(H,24,25)(H,20,22,23)
InChIKeySSLVOASRSYQDJC-UHFFFAOYSA-N
XLogP1.69
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid (CID 174225411) is [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid is O=C(O)NCC1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid?
The InChIKey is SSLVOASRSYQDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-16-6-5-15(17(23)20-16)13-1-3-14(4-2-13)21-9-7-12(8-10-21)11-19-18(24)25/h1-4,12,15,19H,5-11H2,(H,24,25)(H,20,22,23).
What are the key properties of [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid?
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid has a molecular weight of 345.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 174225411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).