(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate

C14H19ClN4O3 — CID 68573821

IUPAC(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate
SMILESNC(=O)COC(=O)NCC1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN4O3/c15-11-1-2-13(17-8-11)19-5-3-10(4-6-19)7-18-14(21)22-9-12(16)20/h1-2,8,10H,3-7,9H2,(H2,16,20)(H,18,21)
InChIKeyYDJONUFUVPTFNH-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.16
Rot. Bonds5

About (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate

(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate (PubChem CID 68573821) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate
PubChem CID68573821
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate
SMILESNC(=O)COC(=O)NCC1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN4O3/c15-11-1-2-13(17-8-11)19-5-3-10(4-6-19)7-18-14(21)22-9-12(16)20/h1-2,8,10H,3-7,9H2,(H2,16,20)(H,18,21)
InChIKeyYDJONUFUVPTFNH-UHFFFAOYSA-N
XLogP1.16
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate (CID 68573821) is (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate is NC(=O)COC(=O)NCC1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate?
The InChIKey is YDJONUFUVPTFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3/c15-11-1-2-13(17-8-11)19-5-3-10(4-6-19)7-18-14(21)22-9-12(16)20/h1-2,8,10H,3-7,9H2,(H2,16,20)(H,18,21).
What are the key properties of (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate?
(2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate has a molecular weight of 326.78 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) N-[[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 68573821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).