ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate

C15H27N3O3 — CID 63121976

IUPACethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C2(C)CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-3-21-14(20)17-12-5-4-10-18(11-12)13(19)15(2)6-8-16-9-7-15/h12,16H,3-11H2,1-2H3,(H,17,20)
InChIKeyHCKFOAKGEQVDLT-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.11
Rot. Bonds3

About ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate

ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate (PubChem CID 63121976) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate
PubChem CID63121976
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)C2(C)CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-3-21-14(20)17-12-5-4-10-18(11-12)13(19)15(2)6-8-16-9-7-15/h12,16H,3-11H2,1-2H3,(H,17,20)
InChIKeyHCKFOAKGEQVDLT-UHFFFAOYSA-N
XLogP1.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate (CID 63121976) is ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)C2(C)CCNCC2)C1.
What is the InChIKey of ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is HCKFOAKGEQVDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-3-21-14(20)17-12-5-4-10-18(11-12)13(19)15(2)6-8-16-9-7-15/h12,16H,3-11H2,1-2H3,(H,17,20).
What are the key properties of ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate?
ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 63121976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).