ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate

C22H32N4O2 — CID 110179244

IUPACethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCC(NCc2cccc3ccccc23)NC1NC(C)C
InChIInChI=1S/C22H32N4O2/c1-4-28-22(27)25-19-12-13-20(26-21(19)24-15(2)3)23-14-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,15,19-21,23-24,26H,4,12-14H2,1-3H3,(H,25,27)
InChIKeyZCDCFNMCCYZCBC-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.08
Rot. Bonds7

About ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate

ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate (PubChem CID 110179244) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate
PubChem CID110179244
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Nameethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCC(NCc2cccc3ccccc23)NC1NC(C)C
InChIInChI=1S/C22H32N4O2/c1-4-28-22(27)25-19-12-13-20(26-21(19)24-15(2)3)23-14-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,15,19-21,23-24,26H,4,12-14H2,1-3H3,(H,25,27)
InChIKeyZCDCFNMCCYZCBC-UHFFFAOYSA-N
XLogP3.08
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate (CID 110179244) is ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate is CCOC(=O)NC1CCC(NCc2cccc3ccccc23)NC1NC(C)C.
What is the InChIKey of ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate?
The InChIKey is ZCDCFNMCCYZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-4-28-22(27)25-19-12-13-20(26-21(19)24-15(2)3)23-14-17-10-7-9-16-8-5-6-11-18(16)17/h5-11,15,19-21,23-24,26H,4,12-14H2,1-3H3,(H,25,27).
What are the key properties of ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate?
ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate has a molecular weight of 384.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(naphthalen-1-ylmethylamino)-2-(propan-2-ylamino)piperidin-3-yl]carbamate is sourced from PubChem (CID 110179244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).