propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate

C15H30N4O2 — CID 134435611

IUPACpropan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(CN2CCNCC2)CCN(C)CC1
InChIInChI=1S/C15H30N4O2/c1-13(2)21-14(20)17-15(4-8-18(3)9-5-15)12-19-10-6-16-7-11-19/h13,16H,4-12H2,1-3H3,(H,17,20)
InChIKeyPJEIFVKCOMVSIR-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.49
Rot. Bonds4

About propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate

propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate (PubChem CID 134435611) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate
PubChem CID134435611
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Namepropan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(CN2CCNCC2)CCN(C)CC1
InChIInChI=1S/C15H30N4O2/c1-13(2)21-14(20)17-15(4-8-18(3)9-5-15)12-19-10-6-16-7-11-19/h13,16H,4-12H2,1-3H3,(H,17,20)
InChIKeyPJEIFVKCOMVSIR-UHFFFAOYSA-N
XLogP0.49
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate (CID 134435611) is propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate is CC(C)OC(=O)NC1(CN2CCNCC2)CCN(C)CC1.
What is the InChIKey of propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate?
The InChIKey is PJEIFVKCOMVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-13(2)21-14(20)17-15(4-8-18(3)9-5-15)12-19-10-6-16-7-11-19/h13,16H,4-12H2,1-3H3,(H,17,20).
What are the key properties of propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate?
propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 134435611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).