[1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid

C13H23N3O2 — CID 68558693

IUPAC[1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid
SMILESO=C(O)NC1CN(C2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C13H23N3O2/c17-13(18)14-11-8-16(9-11)12-3-5-15(6-4-12)7-10-1-2-10/h10-12,14H,1-9H2,(H,17,18)
InChIKeyJRYWNVGBYSACIW-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.81
Rot. Bonds4

About [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid

[1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid (PubChem CID 68558693) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid
PubChem CID68558693
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid
SMILESO=C(O)NC1CN(C2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C13H23N3O2/c17-13(18)14-11-8-16(9-11)12-3-5-15(6-4-12)7-10-1-2-10/h10-12,14H,1-9H2,(H,17,18)
InChIKeyJRYWNVGBYSACIW-UHFFFAOYSA-N
XLogP0.81
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid?
The IUPAC name of [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid (CID 68558693) is [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid?
The canonical SMILES for [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid is O=C(O)NC1CN(C2CCN(CC3CC3)CC2)C1.
What is the InChIKey of [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid?
The InChIKey is JRYWNVGBYSACIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-13(18)14-11-8-16(9-11)12-3-5-15(6-4-12)7-10-1-2-10/h10-12,14H,1-9H2,(H,17,18).
What are the key properties of [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid?
[1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid has a molecular weight of 253.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid is sourced from PubChem (CID 68558693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).